Isobutyl phenylacetate
2-Methylpropyl phenylacetate is a member of benzenes. — ChEBI
- IUPAC name
- 2-methylpropyl 2-phenylacetate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25 g/mol
- Exact mass
- 192.115029749 Da
- XLogP3
- 3.2
- 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:179899
- EPA DTXSID:DTXSID6051512
Evidence from additional scientific databases
EMBL-EBI ChEBI
2-Methylpropyl phenylacetate
- Formula
- C12H16O2
- Average mass
- 192.258 g/mol
- Monoisotopic mass
- 192.11503 Da
- Formal charge
- 0
- benzenes — is a (CHEBI:22712)
- benzenes — is a (CHEBI:22712)
Additional curated names
Cross-references from this source
- CAS: 102-13-6 — ChemIDplus
- MANUAL_X_REF: 54959 — ChemSpider
- MANUAL_X_REF: HMDB0035010 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 247.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 247 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.984-0.988 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colourless liquid; rose honey-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.484-1.488 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 93 mg/L @ 20 °C (exp) Source: Human Metabolome Database (HMDB)
- Solubility: Insoluble in water, glyceryl, propylene glycol; soluble in oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 mL in 2 mL 80% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 97.7% (1650 of 1688) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 1650 of 1688 companies (only 2.3% companies provided GHS information). 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 1688 reports by companies from 2 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1650 of 1688 reports by companies.; There is 1 notification provided by 38 of 1688 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)
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.