Heptyl butyrate
ALDRICH/W254908 - ≥98%, FG
Synonym: Heptyl butanoate
CAS Number: 5870-93-9
Empirical Formula (Hill Notation): C11H22O2
Molecular Weight: 186.29
EC Number: 227-526-5
MDL Number: MFCD00048908
Linear Formula: CH3CH2CH2CO2(CH2)6CH3
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 225-226 °C (lit.) |
| density | 0.864 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Kosher | |
| InChI | 1S/C11H22O2/c1-3-5-6-7-8- |
| InChI key | JPQHLIYIQARLQM-UHFFFAOYSA |
| mp | −58 °C (lit.) |
| organoleptic | green; fruity; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FDA 21 CFR 117 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCCCCCOC(=O)CCC |
| Application: | Heptyl butyrate can be used as a flavoring ingredient in numerous consumer foods and beverages because of its fruity flavor. |
| General description: | Heptyl butyrate is a flavor ester that occurs naturally in babaco fruit. It is an attractant for Vespula pensylvanica, a species of Yellow Jacket. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 4, 9 kg in poly drum |
| WGK Germany | WGK 2 |
| Flash Point(F) | 195.8 °F - closed cup |
| Flash Point(C) | 91 °C - closed cup |
| Purity | ≥98% |
| bp | 225-226 °C (lit.) |
| mp | −58 °C (lit.) |
| Density | 0.864 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2549 |
| UNSPSC | 12164502 |