Hexyl hexanoate
ALDRICH/W257206 - ≥97%, FG
Synonym: Hexyl caproate
CAS Number: 6378-65-0
Empirical Formula (Hill Notation): C12H24O2
Molecular Weight: 200.32
EC Number: 228-952-4
MDL Number: MFCD00053808
Linear Formula: CH3(CH2)4CO2(CH2)5CH3
Product Type: Chemical
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥97% |
| biological source | synthetic |
| bp | 245-246 °C (lit.) |
| density | 0.863 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/C12H24O2/c1-3-5-7-9-11 |
| InChI key | NCDCLPBOMHPFCV-UHFFFAOYSA |
| mp | −55 °C (lit.) |
| organoleptic | green; vegetable; fruity |
| 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)CCCCC |
| General description: | Hexyl hexanoate is one of the main flavor components of passion fruit and apples. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 9, 20 kg in poly drum |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 2 |
| Flash Point(F) | 210.2 °F - closed cup |
| Flash Point(C) | 99 °C - closed cup |
| Purity | ≥97% |
| bp | 245-246 °C (lit.) |
| mp | −55 °C (lit.) |
| Density | 0.863 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2572 |
| UNSPSC | 12164502 |