W208019

Isoamyl octanoate

natural, ≥98%, FG

• Synonym(s): Isoamyl caprylate
• Linear Formula: CH₃(CH₂)₆CO₂CH₂CH₂CH(CH₃)₂
• CAS Number: 2035-99-6
• Molecular Weight: 214.34
• FEMA Number: 2080
• EC Number: 218-004-8
• Council of Europe no.: 401
• MDL number: MFCD00048917
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900847
• Flavis number: 9.120
• NACRES: NA.21

Properties

• grade: FG; Fragrance grade; Halal; natural
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• description: mixture of isoamyl octanoate and 2-methylbutyl octanoate
• assay: ≥98%
• refractive index: n20/D 1.426 (lit.)
• bp: 267-268 °C
• density: 0.861 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: coconut; green; waxy; fruity; pineapple; sweet
• SMILES string: CCCCCCCC(=O)OCCC(C)C
• InChI: 1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
• InChI key: XKWSWANXMRXDES-UHFFFAOYSA-N

Description

Other Notes

Natural occurrence: Scotch, whiskey, bourbon whiskey, wine, banana, apple and strawberry.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315
• pcodes: P264 - P280 - P302 + P352 - P332 + P313 - P362 + P364
• Hazard Classifications: Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves