Propyl acetate

Propyl acetate, also known as propyl ethanoate, is an organic compound. Nearly 20,000 tons are produced annually for use as a solvent. This 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 propan-1-ol, often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct.^[6]

Quick Facts Names, Identifiers ...

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 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:40116 Y
ChEMBL	ChEMBL44857 Y
ChemSpider	7706 Y
DrugBank	DB01670 Y
ECHA InfoCard	100.003.352
EC Number	203-686-1
PubChem CID	7997
RTECS number	AJ3675000
UNII	4AWM8C91G6 Y
UN number	1276
CompTox Dashboard (EPA)	DTXSID6021901
InChI InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 Y Key: YKYONYBAUNKHLG-UHFFFAOYSA-N Y 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	102.133 g·mol−1
Appearance	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
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H319, H336
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)	2 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 Isopropyl 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). N verify (what is YN ?) Infobox references

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