CAS 108-64-5PubChem CID 7945
Ethyl isovalerate
Ethyl isovalerate is the fatty acid ethyl ester of isovaleric acid. It has a role as a metabolite. It is a fatty acid ethyl ester and an olefinic compound. It is functionally related to an isovaleric acid. — ChEBI
- IUPAC name
- ethyl 3-methylbutanoate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18 g/mol
- Exact mass
- 130.099379685 Da
- XLogP3
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Ethyl 3-methylbutyrateEthyl isopentanoateIsovaleric acid, ethyl esterButanoic acid, 3-methyl-, ethyl ester3-Methylbutyric acid ethyl esterEthyl beta-methylbutyrateFEMA No. 2463NSC-8869
16 more reported names
9ZZ5597636CHEBI:31571RefChem:138970203-602-33-Methylbutanoic acid ethyl esterEthyl isovalerianateButyric acid, 3-methyl-, ethyl esterEthyl iso-pentanoateEthylisovalerateethyl 3-methyl-butanoateIsovaleric Acid Ethyl EsterIsopentanoic acid ethyl esterEthyl Isovalerate(Isovaleric Acid Ethyl Ester)WE(2:0/4:0(3Me))Ethyl isovalerate (natural)CCRIS 1345
External database identifiers
- ChEBI:CHEBI:31571
- ChEMBL:CHEMBL3183097
- EPA DTXSID:DTXSID3047057
- PubMed:22646744
- PubMed:22393353
- PubMed:22324474
- PubMed:22120647
- PubMed:22117650
- PubMed:21799756
- PubMed:21162564
- PubMed:20735852
- PubMed:20113441
- PubMed:20065117
- PubMed:19694437
- PubMed:19619854
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match7945
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 131.00 to 133.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 135 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.862-0.866 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -99.3 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Ethyl isovalerate appears as a colorless oily liquid with a strong odor similar to apples. Less dense than water. Vapors heavier than air. May mildly irritate skin and eyes. Source: CAMEO Chemicals
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid/strong, fruity, vinous, apple-like odour on dilution Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.395-1.399 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 2 mg/mL at 20 °C Source: Human Metabolome Database (HMDB)
- Solubility: soluble in propylene glycol, 1 ml in 350 ml water; miscible with alcohol, most fixed oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- First Aid: Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:; Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024) Source: CAMEO Chemicals
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (99.9%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, 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 1810 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; 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)
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.