Isobutyl Benzoate
Isobutyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with isobutanol. It has a role as a metabolite. It is functionally related to a benzoic acid and an isobutanol. — ChEBI
- IUPAC name
- 2-methylpropyl benzoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23 g/mol
- Exact mass
- 178.099379685 Da
- XLogP3
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:87500
- ChEMBL:CHEMBL2260714
- EPA DTXSID:DTXSID6047074
- PubMed:21799958
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 2026-09-02 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.