Isobutyl hexanoate
ALDRICH/W220205 - ≥98%, FG
Synonym: Isobutyl caproate
CAS Number: 105-79-3
Empirical Formula (Hill Notation): C10H20O2
Molecular Weight: 172.26
EC Number: 203-332-6
MDL Number: MFCD00048870
Linear Formula: CH3(CH2)4CO2CH2CH(CH3)2
Product Type: Chemical
agency | meets purity specifications of JECFA |
application(s) | flavors and fragrances |
assay | ≥98% |
biological source | synthetic |
bp | 348-350 °C (lit.) |
density | 0.856 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
InChI | 1S/C10H20O2/c1-4-5-6-7-10 |
InChI key | UXUPPWPIGVTVQI-UHFFFAOYSA |
organoleptic | apple; green; pineapple; sweet |
Quality Level | 400 |
refractive index | n |
reg. compliance | EU Regulation 1334/2008 & 178/2002 |
FDA 21 CFR 117 | |
FDA 21 CFR 172.515 | |
SMILES string | CCCCCC(=O)OCC(C)C |
storage temp. | 2-8°C |
Biochem/physiol Actions: | Taste at 10 ppm |
Packaging: | 1 kg in poly bottle |
Packaging: | 9, 20 kg in poly drum |
Symbol | GHS07 |
Signal word | Warning |
Hazard statements | H315 - H319 |
Precautionary statements | P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xi |
Risk Statements | 36/37 |
Safety Statements | 26 |
WGK Germany | WGK 2 |
Flash Point(F) | 168.8 °F - closed cup |
Flash Point(C) | 76 °C - closed cup |
Purity | ≥98% |
bp | 348-350 °C (lit.) |
Density | 0.856 g/mL at 25 °C (lit.) |
Refractive Index | n |
Storage Temp. | 2-8°C |
FEMA Number | 2202 |
UNSPSC | 12164502 |