Pentyl acetate
SIAL/46022 - puriss. p.a., ≥98.5% (GC)
Synonym: Amyl acetate
CAS Number: 628-63-7
Empirical Formula (Hill Notation): C7H14O2
Molecular Weight: 130.18
EC Number: 211-047-3
MDL Number: MFCD00009500
Linear Formula: CH3COO(CH2)4CH3
Product Type: Chemical
| assay | ≥98.5% (GC) |
| autoignition temp. | 680 °F |
| bp | 142-149 °C (lit.) |
| cation traces | Al: ≤0.5 mg/kg |
| Ba: ≤0.1 mg/kg | |
| Bi: ≤0.1 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.05 mg/kg | |
| Co: ≤0.02 mg/kg | |
| Cr: ≤0.02 mg/kg | |
| Cu: ≤0.02 mg/kg | |
| Fe: ≤0.1 mg/kg | |
| K: ≤0.5 mg/kg | |
| Li: ≤0.1 mg/kg | |
| Mg: ≤0.1 mg/kg | |
| Mn: ≤0.02 mg/kg | |
| Mo: ≤0.1 mg/kg | |
| Na: ≤0.5 mg/kg | |
| Ni: ≤0.02 mg/kg | |
| Pb: ≤0.1 mg/kg | |
| Sr: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 0.876 g/mL at 25 °C (lit.) |
| functional group | ester |
| grade | puriss. p.a. |
| impurities | ≤1% isopentyl acetate |
| InChI | 1S/C7H14O2/c1-3-4-5-6-9-7 |
| InChI key | PGMYKACGEOXYJE-UHFFFAOYSA |
| mp | −100 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | CCCCCOC(C)=O |
| vapor density | 4.5 (vs air) |
| vapor pressure | 4 mmHg ( 20 °C) |
| Application: | Banana essence. Used as test odorant in studies of olfactory function and in studies of the psychosocial effects of odor. |
| Application: | Pentyl acetate may be used as odorant to compose the library of odorants to evaluate the responses of olfactory sensory neurons (OSNs) to various odorants (having different structures and odors). |
| General description: | Pentyl acetate is a straight chain ester. It is an odorant and its odor threshold has been evaluated by sensory panel methods. High pressure phase behavior of type I has been reported for its binary mixtures with CO2. Solubility of these solvent mixtures was observed to increase with the rise in temperature at constant pressure. |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P243 |
| Risk Statements | 10-66 |
| Safety Statements | 23-25 |
| RIDADR | UN1104 - class 3 - PG 3 - Amyl acetates |
| WGK Germany | WGK 1 |
| Flash Point(F) | 105.8 °F |
| Flash Point(C) | 41 °C |
| Supplemental Hazard Statements | EUH066 |
| Purity | ≥98.5% (GC) |
| bp | 142-149 °C (lit.) |
| mp | −100 °C (lit.) |
| Density | 0.876 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |