Definition
US FDA substance register · UNII K86JE60K0L · registered name PHENETHYL 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
- 140-26-1
- EC No.EU chemical inventory number
- 205-406-3
- DTXSIDUS EPA chemical ID
- DTXSID2059693
- DTXCIDUS EPA compound ID
- DTXCID3034539
- IUPAC
- 2-Phenylethyl 3-methylbutanoate
- Molecular formula
- C13H18O2
- Molecular weight
- 206.285 g/mol
Measured properties
- Appearance
- Colourless to slighty yellow liquid, fruity or rose-like odour · liquid
- Boiling point
- 263.00 to 264.00 °C. @ 760.00 mm Hg · 263 °C
- Solubility
- Insoluble in water, soluble in oils · 1 mL in 3 ml 80% ethanol (in ethanol)
- Density
- 0.973-0.976
- Melting/freezing point
- 16.86 ℃
- Initial boiling point and range
- 264 ℃
- Flash point
- 108.5 ℃
- Vapour pressure
- 0.943 ㎩ (25℃)
- Water solubility
- &, lt, 0.1 ㎎/ℓ
- Vapour density
- 7.120814635830169
- Relative density
- 0.973
- n-Octanol/water partition coefficient (Kow)
- 3.972
- Molecular weight
- 206.29
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 10 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.
- Fragrance8
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 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 3 studies
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: Given below according to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to
Source: US EPA CompTox dashboard
Linked databases 13
- Australian Industrial Chemicals Inventory (AICIS)
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- 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