Hexyl butyrate
ALDRICH/W256803 - ≥98%, FG
Synonym: Hexyl butanoate
CAS Number: 2639-63-6
Empirical Formula (Hill Notation): C10H20O2
Molecular Weight: 172.26
EC Number: 220-136-6
MDL Number: MFCD00048884
Linear Formula: CH3CH2CH2CO2(CH2)5CH3
Product Type: Chemical
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 205 °C (lit.) |
| density | 0.851 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C10H20O2/c1-3-5-6-7-9- |
| InChI key | XAPCMTMQBXLDBB-UHFFFAOYSA |
| organoleptic | green; waxy; fruity; sweet |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FDA 21 CFR 117 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCCCCOC(=O)CCC |
| General description: | Hexyl butyrate occurs naturally in apples and yellow passion fruit. It is one of the main volatile chemicals released by the plant bug, Lygus hesperus and Lygus lineolaris when they are attacked or disturbed. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 20 kg in composite drum |
| Packaging: | 9 kg in poly drum |
| WGK Germany | WGK 2 |
| Flash Point(F) | 177.8 °F - closed cup |
| Flash Point(C) | 81 °C - closed cup |
| Purity | ≥98% |
| bp | 205 °C (lit.) |
| Density | 0.851 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2568 |
| UNSPSC | 12164502 |