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 (JSmol)	Interactive image;
ChEBI	CHEBI:40116 ;
ChEMBL	ChEMBL44857 ;
ChemSpider	7706 ;
DrugBank	DB01670 ;
ECHA InfoCard	100.003.352
EC Number	203-686-1;
PubChem CID	7997;
RTECS number	AJ3675000;
UNII	4AWM8C91G6 ;
UN number	1276
CompTox Dashboard (EPA)	DTXSID6021901 ;
	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	102.133 g·mol−1
Appearance	Colorless liquid
Odor	Mild, fruity
Density	0.89 g/cm3
Melting point	−95 °C (−139 °F; 178 K)
Boiling point	102 °C (216 °F; 375 K)
Solubility in water	18.9 g/L
Vapor pressure	25 mmHg (20 °C)
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)
Autoignition; temperature	450 °C (842 °F; 723 K)
Explosive limits	1.7–8%
	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); 17800 mg/kg (dermal, rabbit)
LCLo (lowest published)	8941 ppm (cat, 5 hr)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 200 ppm (840 mg/m3)
REL (Recommended)	TWA 200 ppm (840 mg/m3) ST 250 ppm (1050 mg/m3)
IDLH (Immediate danger)	1700 ppm
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). verify (what is ?) Infobox references

Propyl acetate

Chemical compound

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]

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[PGCH-1] [1]
NIOSH Pocket Guide to Chemical Hazards. "#0532". National Institute for Occupational Safety and Health (NIOSH).

[GESTIS-2] [2]
Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health

[3] [3]
"n-Propyl acetate". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[4] [4]
Union Carbide Data Sheet. Vol. 1/25/1965

[5] [5]
"n-Propyl acetate". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[6] [6]
Papa, Anthony J. (2011-10-15), "Propanols", Ullmann's Encyclopedia of Industrial Chemistry, Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, doi:10.1002/14356007.a22_173.pub2, retrieved 2022-03-29

[6]

[1]

[2]

[3]

[4]

[5]

Propyl_acetate

Propyl acetate

References

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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]
LC_Lo (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