Ammonium benzoate, calcium benzoate, potassium benzoate, magnesium benzoate, MEA-benzoate, methyl benzoate, ethyl benzoate, propyl benzoate, butyl benzoate, isobutyl benzoate, isopropyl benzoate, phenyl benzoate
The consolidated GB Cosmetics Regulation lists this record in Annex V.
Regulatory decision and full conditions
- Status
- Permitted list with conditions
- Legal role
- Binding rule
- Regulatory summary
- The consolidated GB Cosmetics Regulation lists this record in Annex V.
- Conditions and restrictions
- 0,5% (acid)
Substance identity
- Official source name
- Ammonium benzoate, calcium benzoate, potassium benzoate, magnesium benzoate, MEA-benzoate, methyl benzoate, ethyl benzoate, propyl benzoate, butyl benzoate, isobutyl benzoate, isopropyl benzoate, phenyl benzoate
- CAS
- 1863-63-4; 2090-05-3; 582-25-2; 553-70-8; 4337-66-0; 93-58-3; 93-89-0; 2315-68-6; 136-60-7; 120-50-3; 939-48-0; 93-99-2
- EC
- 217-468-9; 218-235-4; 209-481-3; 209-045-2; 224-387-2; 202-259-7; 202-284-3; 219-020-8; 205-252-7; 204-401-3; 213-361-6; 202-293-2
- Identity mapping
- cas_number
- Linked ingredient
- AMMONIUM BENZOATE
Linked CosIng identity data
Names and aliases
CosIng description: Ammonium benzoate
EU inventory restriction note: V/1a
Recorded cosmetic function: PRESERVATIVE
Function pages:PRESERVATIVE
View the complete ingredient profileCross-market snapshot for this identity
Exact linked records currently present in this site. An absent market means no imported exact match, not permission to use the substance.
European Union
1 linked record · 1 with specific conditions
Open supporting recordGreat Britain
Current record1 linked record · 1 with specific conditions
Open supporting recordNew Zealand
12 linked records · 12 with specific conditions
Open supporting recordASEAN
1 linked record · 1 with specific conditions
Open supporting recordSouth Korea
1 linked record · 1 with specific conditions
Open supporting recordVerified chemistry for CAS 120-50-3
Isobutyl Benzoate
- IUPAC name
- 2-methylpropyl benzoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23 g/mol
- Exact mass
- 178.099379685 Da
- Monoisotopic mass
- 178.099379685 Da
- XLogP3
- 3.6
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 157.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:87500
- ChEMBL:CHEMBL2260714
- EPA DTXSID:DTXSID6047074
- PubMed:21799958
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 1
- 3D hydrophobes
- 1
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 4.0
Machine-readable structure identifiers
- SMILES
CC(C)COC(=O)C1=CC=CC=C1- InChI
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3- InChIKey
KYZHGEFMXZOSJN-UHFFFAOYSA-N
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 242.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 240 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.994-0.999 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 3.230 Source: Human Metabolome Database (HMDB)
- Physical Description: colourless oily liquid with a green, floral, leafy odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.489-1.496 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water; soluble in organic solvents, oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible at room temperature (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 100% (1572 of 1572) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 1572 of 1572 companies. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1572 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1572 of 1572 reports by companies.; There are 0 notifications provided by 0 of 1572 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Cosmetic Ingredient Review Finding(s): Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org Source: Cosmetic Ingredient Review (CIR)
- Cosmetic Ingredient Review Link: CIR ingredient: Isobutyl Benzoate Source: Cosmetic Ingredient Review (CIR)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 136-60-7
Butyl Benzoate
- IUPAC name
- butyl benzoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23 g/mol
- Exact mass
- 178.099379685 Da
- Monoisotopic mass
- 178.099379685 Da
- XLogP3
- 3.8
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 148.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:156070
- ChEMBL:CHEMBL1868953
- EPA DTXSID:DTXSID8040694
- PubMed:22432011
- PubMed:22427877
- PubMed:22291900
- PubMed:21092975
- PubMed:20702726
- PubMed:18629309
- PubMed:18474112
- PubMed:18258283
- PubMed:18019843
- PubMed:12799010
- PubMed:12650253
- PubMed:12570088
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 1
- 3D hydrophobes
- 1
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 5.0
Machine-readable structure identifiers
- SMILES
CCCCOC(=O)C1=CC=CC=C1- InChI
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3- InChIKey
XSIFPSYPOVKYCO-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 1863-63-4
Ammonium Benzoate
- IUPAC name
- azanium benzoate
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15 g/mol
- Exact mass
- 139.063328530 Da
- Monoisotopic mass
- 139.063328530 Da
- Topological polar surface area
- 41.1 Ų
- Molecular complexity
- 98.0
- Formal charge
- 0
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Covalent units
- 2
Names and synonyms reported to PubChem
12 more reported names
External database identifiers
- EPA DTXSID:DTXSID4041602
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D conformers
- 0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)[O-].[NH4+]- InChI
InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3- InChIKey
VWSRWGFGAAKTQG-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 2090-05-3
Calcium Benzoate
- IUPAC name
- calcium dibenzoate
- Molecular formula
- C14H10CaO4
- Molecular weight
- 282.30 g/mol
- Exact mass
- 282.0204996 Da
- Monoisotopic mass
- 282.0204996 Da
- Topological polar surface area
- 80.3 Ų
- Molecular complexity
- 98.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Covalent units
- 3
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- EPA DTXSID:DTXSID4044612
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D conformers
- 0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]- InChI
InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2- InChIKey
NSQPPSOSXWOZNH-UHFFFAOYSA-L
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 2315-68-6
Propyl Benzoate
Propyl benzoate is a benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. It has a role as a flavouring agent, an antimicrobial food preservative and a plant metabolite. — ChEBI
- IUPAC name
- propyl benzoate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.20 g/mol
- Exact mass
- 164.083729621 Da
- Monoisotopic mass
- 164.083729621 Da
- XLogP3
- 3.0
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 137.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:156072
- ChEMBL:CHEMBL1355077
- EPA DTXSID:DTXSID4044878
- PubMed:20801377
- PubMed:20702726
- PubMed:18392755
- PubMed:17651367
- PubMed:15844481
- PubMed:12899297
- PubMed:11829642
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 1
- 3D hydrophobes
- 1
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 4.0
Machine-readable structure identifiers
- SMILES
CCCOC(=O)C1=CC=CC=C1- InChI
InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3- InChIKey
UDEWPOVQBGFNGE-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 4337-66-0
Ethanol, 2-amino-, benzoate (1:1)
- IUPAC name
- 2-hydroxyethylazanium benzoate
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.20 g/mol
- Exact mass
- 183.08954328 Da
- Monoisotopic mass
- 183.08954328 Da
- Topological polar surface area
- 88.0 Ų
- Molecular complexity
- 108.0
- Formal charge
- 0
- Hydrogen-bond donors
- 2
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Covalent units
- 2
Names and synonyms reported to PubChem
7 more reported names
External database identifiers
- EPA DTXSID:DTXSID2063420
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D conformers
- 0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)[O-].C(CO)[NH3+]- InChI
InChI=1S/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2- InChIKey
WUGCLPOLOCIDHW-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 553-70-8
Magnesium Benzoate
- IUPAC name
- magnesium dibenzoate
- Molecular formula
- C14H10MgO4
- Molecular weight
- 266.53 g/mol
- Exact mass
- 266.0429505 Da
- Monoisotopic mass
- 266.0429505 Da
- Topological polar surface area
- 80.3 Ų
- Molecular complexity
- 98.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Covalent units
- 3
Names and synonyms reported to PubChem
7 more reported names
External database identifiers
- ChEMBL:CHEMBL3561058
- EPA DTXSID:DTXSID1044693
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D conformers
- 0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Mg+2]- InChI
InChI=1S/2C7H6O2.Mg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2- InChIKey
PJJZFXPJNUVBMR-UHFFFAOYSA-L
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 582-25-2
Potassium Benzoate
- IUPAC name
- potassium benzoate
- Molecular formula
- C7H5KO2
- Molecular weight
- 160.21 g/mol
- Exact mass
- 159.99266088 Da
- Monoisotopic mass
- 159.99266088 Da
- Topological polar surface area
- 40.1 Ų
- Molecular complexity
- 108.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Covalent units
- 2
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEMBL:CHEMBL2105241
- EPA DTXSID:DTXSID1027219
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D conformers
- 0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)[O-].[K+]- InChI
InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1- InChIKey
XAEFZNCEHLXOMS-UHFFFAOYSA-M
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 93-58-3
Methyl Benzoate
Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as an insect attractant and a metabolite. It is a methyl ester and a benzoate ester. — ChEBI
- IUPAC name
- methyl benzoate
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15 g/mol
- Exact mass
- 136.052429494 Da
- Monoisotopic mass
- 136.052429494 Da
- XLogP3
- 2.1
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 114.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:72775
- ChEMBL:CHEMBL16435
- EPA DTXSID:DTXSID5025572
- PubMed:23025345
- PubMed:22999809
- PubMed:22968045
- PubMed:22904937
- PubMed:22799101
- PubMed:22747426
- PubMed:22568477
- PubMed:22558369
- PubMed:22497084
- PubMed:22420269
- PubMed:22345641
- PubMed:22343130
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 2
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 2
- Effective 3D rotors
- 2.0
Machine-readable structure identifiers
- SMILES
COC(=O)C1=CC=CC=C1- InChI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3- InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 93-89-0
Ethyl benzoate
Ethyl benzoate is a benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. It has a role as a volatile oil component, a flavouring agent and a fragrance. It is an ethyl ester and a benzoate ester. — ChEBI
- IUPAC name
- ethyl benzoate
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17 g/mol
- Exact mass
- 150.068079557 Da
- Monoisotopic mass
- 150.068079557 Da
- XLogP3
- 2.6
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 126.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:156074
- ChEMBL:CHEMBL510714
- EPA DTXSID:DTXSID3038696
- PubMed:22849631
- PubMed:22791215
- PubMed:22448229
- PubMed:22319529
- PubMed:22177423
- PubMed:22007598
- PubMed:21949771
- PubMed:21852250
- PubMed:21652766
- PubMed:21609476
- PubMed:21582182
- PubMed:21581618
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 2
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 7
- Effective 3D rotors
- 3.0
Machine-readable structure identifiers
- SMILES
CCOC(=O)C1=CC=CC=C1- InChI
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3- InChIKey
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 93-99-2
Phenyl benzoate
Phenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid. — ChEBI
- IUPAC name
- phenyl benzoate
- Molecular formula
- C13H10O2
- Molecular weight
- 198.22 g/mol
- Exact mass
- 198.068079557 Da
- Monoisotopic mass
- 198.068079557 Da
- XLogP3
- 3.6
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 201.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:86919
- ChEMBL:CHEMBL1885870
- EPA DTXSID:DTXSID0048210
- PubMed:33301901
- PubMed:31734321
- PubMed:27965148
- PubMed:26795242
- PubMed:25617811
- PubMed:22670792
- PubMed:22412594
- PubMed:22347133
- PubMed:22245253
- PubMed:22220058
- PubMed:22065724
- PubMed:21589569
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 2
- 3D hydrophobes
- 0
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 3.0
Machine-readable structure identifiers
- SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2- InChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H- InChIKey
FCJSHPDYVMKCHI-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 939-48-0
Isopropyl Benzoate
- IUPAC name
- propan-2-yl benzoate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.20 g/mol
- Exact mass
- 164.083729621 Da
- Monoisotopic mass
- 164.083729621 Da
- XLogP3
- 3.2
- Topological polar surface area
- 26.3 Ų
- Molecular complexity
- 146.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:180402
- ChEMBL:CHEMBL2260721
- EPA DTXSID:DTXSID9044746
- PubMed:19503938
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 1
- 3D hydrophobes
- 1
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 3.0
Machine-readable structure identifiers
- SMILES
CC(C)OC(=O)C1=CC=CC=C1- InChI
InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3- InChIKey
FEXQDZTYJVXMOS-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Official source and provenance
- Registered source
- Great Britain Cosmetics Regulation — consolidated Annexes II–VI and amendments
- Source reference
- GB Cosmetics Regulation, Annex V, entry 1a
- Source record ID
V-1a- Source version
- 2026-08-15
- Source language
- English
- Translation status
- Original is English
- Effective date
- 2026-08-15
- Source updated
- 2026-08-19
- Snapshot checked
- 2026-08-30 04:51 UTC
- Validation method
- legislation.gov.uk XML table parse; {'II': 1758, 'III': 326, 'IV': 154, 'V': 57, 'VI': 34}
- SHA-256
e3a386d950f54c6e7a7f9e784d1bd46e52de725137e89d5630709824475215d8
Registered dataset notes
- Dataset coverage
- Complete consolidated GB Annexes II–VI, with later amendments versioned separately
- Authority note
- Binding GB schedules and versioned amendments to retained Regulation 1223/2009; applies to England, Wales and Scotland, not Northern Ireland
- Source licence
- Open Government Licence v3.0 / Crown copyright
- Attribution
- Contains public sector information licensed under the Open Government Licence v3.0.
How this record fits the market dataset
Status distribution
Condition text is present on 517 of 2329 current records. An empty condition field is interpreted according to the record type above; it is never converted into an unrestricted-use claim.
Great Britain market context
Complete consolidated annex dataset
Coverage version: GB retained Regulation 1223/2009 schedules, effective 15 August 2026
Current consolidated Annexes II–VI for England, Scotland and Wales.
Verification checklist
- Confirm INCI/CAS/EC identity.
- Review every current GB Annex II–VI match.
- Check commencement dates and later statutory instruments.
- Verify SCPN, responsible-person, safety-report and labelling duties.
Official market sources
- Great Britain Cosmetics Regulation — consolidated Annexes II–VI and amendmentsBinding GB schedules and versioned amendments to retained Regulation 1223/2009; applies to England, Wales and Scotland, not Northern Ireland
Verification workflow and record completeness
Before using this result in a compliance decision
- Confirm that “Ammonium benzoate, calcium benzoate, potassium benzoate, magnesium benzoate, MEA-benzoate, methyl benzoate, ethyl benzoate, propyl benzoate, butyl benzoate, isobutyl benzoate, isopropyl benzoate, phenyl benzoate” and every CAS/EC identifier refer to the material in your supplier specification.
- Confirm INCI/CAS/EC identity.
- Review every current GB Annex II–VI match.
- Check commencement dates and later statutory instruments.
- Verify SCPN, responsible-person, safety-report and labelling duties.
- Document the source version and recheck the regulator before manufacture, notification or market placement.
Fields available in this record
- Official substance nameAvailable
- CASAvailable
- ECAvailable
- Separate condition textAvailable
- Effective dateAvailable
- Snapshot hash and methodAvailable
Questions this page answers
Stable citation
Ammonium benzoate, calcium benzoate, potassium benzoate, magnesium benzoate, MEA-benzoate, methyl benzoate, ethyl benzoate, propyl benzoate, butyl benzoate, isobutyl benzoate, isopropyl benzoate, phenyl benzoate. GB Cosmetics Regulation, Annex V, entry 1a. Great Britain. Source version 2026-08-15. CosIng Checker regulatory record: https://cosingchecker.com/regulations/gb/records/6597/
Cite the regulator as the legal authority. This page is a structured evidence index and verification aid, not a substitute for the official text or professional legal assessment.
Interpretation and limits for Great Britain
This identity appears on a market positive list for the list function represented by the source record.
Confirm that the intended function and product use fall within the list scope and every stated condition.
How to interpret the legal role
The cited row forms part of a binding rule or legally incorporated list for this market.
Evidence on this page
- Recorded outcome: Permitted list with conditions
- Legal role: Binding rule
- Source version: 2026-08-15
- Effective date: 2026-08-15
What it does not prove
No annex match is not approval and does not cover Northern Ireland, which follows the applicable EU framework.
Further authoritative substance research
These sources can add identity, safety, exposure or hazard context. A link is not evidence that the database contains this exact substance, and none of these sources overrides the market decision above.
Cosmetic Ingredient Review safety assessments
Expert Panel conclusions, assessed ingredient groups, use conditions, dates and report documents
Independent expert review considered by FDA; not a government approval or binding market rule
Research this identity at the sourceFDA Global Substance Registration System
UNII identifiers, preferred names, substance types, codes and public substance relationships
Identity registry only; UNII availability does not imply FDA review or approval
Research this identity at the sourceILO/WHO International Chemical Safety Cards
Hazards, symptoms, first aid, storage, incompatibilities and physical properties for covered chemicals
International occupational chemical-safety reference; not cosmetic-use approval
Research this identity at the sourceJapan NITE-CHRIP
Chemical identity, Japanese and foreign legal lists, GHS hazards and exposure-related information
Chemical-management evidence; cosmetic status remains governed by the applicable MHLW standard and market rules
Research this identity at the sourceNIOSH Pocket Guide to Chemical Hazards
REL, PEL, IDLH, properties, exposure routes, symptoms, target organs, first aid and measurement methods for covered workplace chemicals
US occupational-health guidance and limits; not a cosmetic ingredient decision
Research this identity at the sourceOECD eChemPortal
Gateway to authority-owned physical-property, fate, ecotoxicity, toxicity, exposure and GHS records
Discovery gateway; each linked authority remains responsible for its data
Research this identity at the sourceUS EPA CompTox CTX APIs
API key required for importDTXSID identity, experimental and predicted properties, toxicity, bioactivity, exposure and environmental data
Scientific and computational evidence; predictions must remain labelled and do not determine cosmetic legality
Research this identity at the source