CAS 10094-34-5PubChem CID 24915
1,1-Dimethyl-2-phenylethyl butyrate
2-Methyl-1-phenyl-2-propanyl butyrate is an alkylbenzene. — ChEBI
- IUPAC name
- (2-methyl-1-phenylpropan-2-yl) butanoate
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31 g/mol
- Exact mass
- 220.146329876 Da
- XLogP3
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
RefChem:588253Butanoic acid, 1,1-dimethyl-2-phenylethyl esterDimethylbenzylcarbinyl butyrateBenzyldimethylcarbinyl butyratealpha,alpha-Dimethylphenethyl butyrateDimethyl benzyl carbinyl butyrateDmbc butyrate2-Benzyl-2-propyl butyrate
16 more reported names
Benzyl dimethylcarbinyl butyrate1,1-Dimethyl-2-phenylethyl butanoateBenzyl dimethylcarbinyl n-butyrateFEMA No. 2394Benzyl dimethyl carbinyl butyrate2-methyl-1-phenylpropan-2-yl butyrate2-Methyl-1-phenyl-2-propanyl butyrate2-methyl-1-phenylpropan-2-yl butanoateButyric acid, .alpha.,.alpha.-dimethylphenethyl esterBUTYRIC ACID, alpha,alpha-DIMETHYLPHENETHYL ESTERDimethyl benzyl carbinyl n-butyrate3Q0C60547R.alpha.,.alpha.-Dimethylphenethyl butyrateEINECS 233-221-8UNII-3Q0C60547RDIMETHYL PHENETHYL BUTYRATE
External database identifiers
- ChEBI:CHEBI:185847
- ChEMBL:CHEMBL3187337
- EPA DTXSID:DTXSID5038830
- PubMed:22414645
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:185847
2-Methyl-1-phenyl-2-propanyl butyrate
- Formula
- C14H20O2
- Average mass
- 220.312 g/mol
- Monoisotopic mass
- 220.14633 Da
- Formal charge
- 0
- alkylbenzene — is a (CHEBI:38976)
- alkylbenzene — is a (CHEBI:38976)
Additional curated names
(2-methyl-1-phenylpropan-2-yl) butanoate
Cross-references from this source
- CAS: 10094-34-5 — ChemIDplus
- MANUAL_X_REF: 23294 — ChemSpider
- MANUAL_X_REF: HMDB0040226 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match24915
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 237-255 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.960-0.971 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: CBI; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colourless liquid; Mild, herbaceous, fruity aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.484-1.489 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in mineral oil and most fixed oils; insoluble in water and propylene glycol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 1.8% (37 of 2051) of reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H411 (87.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P273, P391, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 2051 reports by companies from 13 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 37 of 2051 reports by companies.; There are 12 notifications provided by 2014 of 2051 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)
- Consumer Uses: Fragrance; Other Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Other; Flavoring and nutrient; Fragrance Source: EPA Chemical Data Reporting (CDR)
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 |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| 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.