CAS 10031-71-7PubChem CID 61446
1,1-Dimethyl-3-phenylpropyl isobutyrate
2-Methyl-4-phenyl-2-butyl 2-methylpropanoate is a member of benzenes. — ChEBI
- IUPAC name
- (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33 g/mol
- Exact mass
- 234.161979940 Da
- XLogP3
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Dmpec isobutyratepapaya isobutyrateDmpec 2-methylpropanoatePropanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl esterFEMA No. 2736Dimethyl phenethyl carbinyl isobutyrateDimethylphenyl ethylcarbinyl isobutyrate1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate
16 more reported names
Dimethyl(phenylethyl)carbinyl isobutyrate2-Methyl-4-phenyl-2-butyl isobutyrateG0GW9X884IPhenylethyl dimethyl carbinyl isobutyrateIsobutyric acid, 1,1-dimethyl-3-phenylpropyl esterEINECS 233-092-8RefChem:4099732-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE [FHFI]233-092-82-Methyl-4-phenyl-2-butyl 2-methylpropanoatePHENYL ETHYL DIMETHYL CARBINYL ISOBUTYRATEBETA PHENYL ETHYL DIMETHYL CARBINYL ISOBUTYRATE2-methyl-4-phenylbutan-2-yl 2-methylpropanoateUNII-G0GW9X884IFEMA 2736CHEBI:196148
External database identifiers
- ChEBI:CHEBI:196148
- EPA DTXSID:DTXSID0064915
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match61446
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 250.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 250 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.949-0.959 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colourless liquid; Peculiar fruity-juicy, tea-like and herbaceous, richly sweet aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.475-1.485 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in oils; Insoluble in water 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 100% (90 of 90) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 90 of 90 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 90 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 90 of 90 reports by companies.; There are 0 notifications provided by 0 of 90 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 | No exact record | 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.