- IUPAC name
- 3-methylbut-2-enyl acetate
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17 g/mol
- Exact mass
- 128.083729621 Da
- XLogP3
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
3,3-Dimethylallyl acetate3-Methyl-2-butenyl acetateIsopent-2-enyl acetateDimethylallyl acetate2-BUTEN-1-OL, 3-METHYL-, ACETATE3-Methyl-2-buten-1-ol, acetate2-Buten-1-ol, 3-methyl-, 1-acetateI7KOV03HGS
16 more reported names
EINECS 214-730-41-acetoxy-3-methyl-2-buteneBRN 1746265.gamma.,.gamma.-Dimethylallyl acetatePRENYL ACETATE [FHFI]FEMA NO. 4202EC 214-730-44-02-00-00185 (Beilstein Handbook Reference)3-METHYL-1-ACETOXY-2-BUTENERefChem:868478gamma,gamma-Dimethylallyl acetate214-730-43-Methylbut-2-en-1-yl acetateisopentenyl acetate3-methyl-2-buten-1-yl acetate3,3-dimethyl allyl acetate
External database identifiers
- ChEBI:CHEBI:173486
- ChEMBL:CHEMBL3560443
- EPA DTXSID:DTXSID9047128
- PubMed:22914958
- PubMed:20838475
- PubMed:17171388
- PubMed:12737269
- PubMed:11421681
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match14489
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 151.00 to 152.00 °C. @ 752.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 148-149 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.911-0.922 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 1.650 Source: Human Metabolome Database (HMDB)
- Physical Description: Dry Powder; Liquid; Liquid; CBI Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless liquid; Natural green apple banana aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.424-1.428 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Practically insoluble to 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)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 1901 reports by companies from 4 notifications to the ECHA C&L Inventory.; 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 Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: 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 |
|---|---|---|
| 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.