3-methylbutyl octanoate is a fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.
Definition
3-methylbutyl octanoate is a fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid. It has a role as a metabolite. It is functionally related to an isoamylol and an octanoic acid.
Source: PubChem
US FDA substance register · UNII 2EX40079OL · registered name ISOAMYL OCTANOATE · 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
- 2035-99-6
- EC No.EU chemical inventory number
- 218-004-8
- DTXSIDUS EPA chemical ID
- DTXSID7062114
- DTXCIDUS EPA compound ID
- DTXCID5036268
- IUPAC
- 3-Methylbutyl octanoate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.349 g/mol
Measured properties
- Water solubility
- 1.309 ㎎/ℓ
- n-Octanol/water partition coefficient (Kow)
- 5.21
- Molecular weight
- 214.39
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 6 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.
- Fragrance3
- Flavouring and nutrient2
- No specific technical function1
Source: US EPA CompTox dashboard
Linked databases 14
- 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
- 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