Ethyl isobutyrate is a fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol.
Definition
Ethyl isobutyrate is a fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol. It has a role as a plant metabolite. It is functionally related to an isobutyric acid.
Source: PubChem
US FDA substance register · UNII 9A9661LN4H · registered name Ethyl isobutyrate · 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
- 97-62-1
- EC No.EU chemical inventory number
- 202-595-4
- DTXSIDUS EPA chemical ID
- DTXSID7047728
- DTXCIDUS EPA compound ID
- DTXCID6027717
- IUPAC
- Ethyl 2-methylpropanoate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
Measured properties
- Appearance
- liquid
- Colour
- colourless
- Melting/freezing point
- -88 ℃
- Initial boiling point and range
- 110.1 ℃
- Flash point
- 13 ℃(c.c.)
- Upper/lower flammability or explosive limits
- 7.8 / 1.3 %
- Vapour pressure
- 26 ㎜Hg
- Water solubility
- 3170 ㎎/ℓ (25℃(est.))
- Vapour density
- 4
- Relative density
- 0.8904
- n-Octanol/water partition coefficient (Kow)
- 1.77 (est.)
- Auto-ignition temperature
- 463 ℃
- Molecular weight
- 116.16
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: KOSHA safety data sheets (Korea)
What products actually use it for
What the 25 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.
- Fragrance23
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 3 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 6 studies
- Classification not possible
Skin Irritation · Screening - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Classification not possible
Skin Sensitization · Screening - Classification not possible
Eye Irritation · Screening - Severe Irritation
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage) according to - Studies Indicate No Significant Irritation
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 437 (Bovine Corneal Opacity and Permeability Test Method for Identifying i) Chemicals Inducing Serious Eye Damage and ii) Chemicals Not Requiring Classification for Eye Irritation or Serious Eye Damage) according to
Source: US EPA CompTox dashboard
Related literature
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- 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 · Chinese