Propyl acetate
Propyl acetate, also known as propyl ethanoate, is a chemical compound used as a solvent and an example of an ester. This clear, colorless liquid is known by its characteristic odor of pears. Due to this fact, it is commonly used in fragrances and as a flavor additive. It is formed by the esterification of acetic acid and 1-propanol (known as a condensation reaction), often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct.
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| Names | |||
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| Preferred IUPAC name
Propyl acetate | |||
| Systematic IUPAC name
Propyl ethanoate | |||
| Other names
Acetic acid propyl ester n-Propyl ethanoate n-Propyl acetate n-Propyl ester of acetic acid | |||
| Identifiers | |||
CAS Number |
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3D model (JSmol) |
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| ChEMBL | |||
| ChemSpider | |||
| DrugBank | |||
| ECHA InfoCard | 100.003.352 | ||
PubChem CID |
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| UNII | |||
CompTox Dashboard (EPA) |
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InChI
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SMILES
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| Properties | |||
Chemical formula |
C5H10O2 | ||
| Molar mass | 102.133 g·mol−1 | ||
| Appearance | Clear, colorless liquid | ||
| Odor | Mild, fruity[1] | ||
| Density | 0.89 g/cm3[2] | ||
| Melting point | −95 °C (−139 °F; 178 K)[2] | ||
| Boiling point | 102 °C (216 °F; 375 K)[2] | ||
Solubility in water |
18.9 g/L[2] | ||
| Vapor pressure | 25 mmHg (20 °C)[1] | ||
Magnetic susceptibility (χ) |
−65.91·10−6 cm3/mol | ||
| Hazards | |||
EU classification (DSD) (outdated) |
Flammable (F) Irritant (Xi) | ||
| R-phrases (outdated) | R11, R36 | ||
| S-phrases (outdated) | (S2), S16, S26, S29, S33 | ||
| NFPA 704 (fire diamond) | 
3
2 | ||
| Flash point | 10 °C (50 °F; 283 K)[2] | ||
Autoignition temperature |
450 °C (842 °F; 723 K) | ||
| Explosive limits | 1.7–8%[1] | ||
| Lethal dose or concentration (LD, LC): | |||
LD50 (median dose) |
9370 mg/kg (oral, rat) 8300 mg/kg (oral, mouse) 6640 mg/kg (oral, rabbit) 8700 mg/kg (oral, rat)[3] 17800 mg/kg (dermal, rabbit)[4] | ||
LCLo (lowest published) |
8941 ppm (cat, 5 hr)[5] | ||
| NIOSH (US health exposure limits): | |||
PEL (Permissible) |
TWA 200 ppm (840 mg/m3)[1] | ||
REL (Recommended) |
TWA 200 ppm (840 mg/m3) ST 250 ppm (1050 mg/m3)[1] | ||
IDLH (Immediate danger) |
1700 ppm[1] | ||
| Related compounds | |||
Related esters |
Ethyl acetate n-butyl acetate Isobutyl acetate | ||
Related compounds |
Propan-1-ol Acetic acid | ||
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). | |||
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| Infobox references | |||
References
- NIOSH Pocket Guide to Chemical Hazards. "#0532". National Institute for Occupational Safety and Health (NIOSH).
- Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
- "n-Propyl acetate". Immediately Dangerous to Life and Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
- Union Carbide Data Sheet. Vol. 1/25/1965
- "n-Propyl acetate". Immediately Dangerous to Life and Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).