Isoamyl octanoate
ALDRICH/W208000 - ≥98%, FG
Synonym: Isoamyl caprylate
CAS Number: 2035-99-6
Empirical Formula (Hill Notation): C13H26O2
Molecular Weight: 214.34
EC Number: 218-004-8
MDL Number: MFCD00048917
Linear Formula: CH3(CH2)6CO2CH2CH2CH(CH3)2
Product Type: Chemical
agency | meets purity specifications of JECFA |
application(s) | flavors and fragrances |
assay | ≥98% |
biological source | synthetic |
bp | 260 °C |
density | 0.861 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
InChI | 1S/C13H26O2/c1-4-5-6-7-8- |
InChI key | XKWSWANXMRXDES-UHFFFAOYSA |
organoleptic | coconut; green; fruity; waxy; pineapple; sweet |
refractive index | n |
reg. compliance | EU Regulation 1334/2008 & 178/2002 |
FDA 21 CFR 117 | |
FDA 21 CFR 172.515 | |
SMILES string | CCCCCCCC(=O)OCCC(C)C |
Biochem/physiol Actions: | Taste at 20 ppm |
General description: | Isoamyl octanoate is an aroma compound found in different kinds of wine. |
Other Notes: | Natural occurrence: Scotch, whiskey, bourbon whiskey, wine, banana, apple and strawberry. |
Packaging: | 1 kg in poly bottle |
Packaging: | 4 kg in poly drum |
Symbol | GHS07 |
Signal word | Warning |
Hazard statements | H315 |
Precautionary statements | P302 + P352 |
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 2 |
Flash Point(F) | 235.4 °F - closed cup |
Flash Point(C) | 113 °C - closed cup |
Purity | ≥98% |
bp | 260 °C |
Density | 0.861 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 2080 |
UNSPSC | 12164502 |