Propyl acetate

Propyl acetate

Names
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	109-60-4
3D model (Jmol)	Interactive image
ChEBI	CHEBI:40116
ChEMBL	ChEMBL44857
ChemSpider	7706
DrugBank	DB01670
ECHA InfoCard	100.003.352
PubChem	7997
UNII	4AWM8C91G6
InChI InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 Key: YKYONYBAUNKHLG-UHFFFAOYSA-N InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 Key: YKYONYBAUNKHLG-UHFFFAOYAC
SMILES O=C(OCCC)C
Properties
Chemical formula	C5H10O2
Molar mass	102.13 g·mol^−1
Appearance	Clear, colorless liquid
Odor	mild, fruity[1]
Density	0.89 g/cm^3[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]
Hazards
EU classification (DSD)	Flammable (F) Irritant (Xi)
R-phrases	R11, R36
S-phrases	(S2), S16, S26, S29, S33
NFPA 704	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]
US health exposure limits (NIOSH):
PEL (Permissible)	TWA 200 ppm (840 mg/m^3)[1]
REL (Recommended)	TWA 200 ppm (840 mg/m^3) ST 250 ppm (1050 mg/m^3)[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

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.

References

1. "NIOSH Pocket Guide to Chemical Hazards #0532". National Institute for Occupational Safety and Health (NIOSH).
2. Record in the GESTIS Substance Database of the IFA
3. "n-Propyl acetate". Immediately Dangerous to Life and Health. National Institute for Occupational Safety and Health (NIOSH).
4. Union Carbide Data Sheet. Vol. 1/25/1965
5. "n-Propyl acetate". Immediately Dangerous to Life and Health. National Institute for Occupational Safety and Health (NIOSH).

External links

• NIOSH Pocket Guide to Chemical Hazards
• Acetic acid, propyl ester - Toxicity Data
• N-Propyl Acetate MSDS