Ethyl isovalerate is the fatty acid ethyl ester of isovaleric acid.
Definition
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.
Source: PubChem
US FDA substance register · UNII 9ZZ5597636 · registered name Ethyl isovalerate · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 108-64-5
- EC No.EU chemical inventory number
- 203-602-3
- DTXSIDUS EPA chemical ID
- DTXSID3047057
- DTXCIDUS EPA compound ID
- DTXCID1027057
- IUPAC
- Ethyl 3-methylbutanoate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.187 g/mol
Measured properties
- Appearance
- 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. · Liquid
- Boiling point
- 131.00 to 133.00 °C. @ 760.00 mm Hg · 135 °C
- Melting point
- -99.3 °C
- Solubility
- 2 mg/mL at 20 °C · soluble in propylene glycol, 1 ml in 350 ml water, miscible with alcohol, most fixed oils
- Density
- 0.862-0.866
- Colour
- colourless
- Melting/freezing point
- -99 ℃
- Initial boiling point and range
- 131~135 ℃
- Flash point
- 50 ℃
- Upper/lower flammability or explosive limits
- 6.9 / 1.1 %
- Vapour pressure
- 8.3 ㎜Hg(25℃)
- Water solubility
- 2000 ㎎/ℓ
- Vapour density
- 4.49 ()
- Relative density
- 0.868 (at 20℃)
- n-Octanol/water partition coefficient (Kow)
- 2.26 ((est.))
- Molecular weight
- 130.19
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 23 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance20
- Flavouring and nutrient2
- No specific technical function1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
1 skin studies and 1 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 2 studies
- Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to EU Method B.5 (Acute Toxicity: Eye Irritation / Corrosion) according to
Source: US EPA CompTox dashboard
Related literature
Linked databases 18
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem 2
- PubMed
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese