Wikipedia

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]

Propyl acetate
Skeletal formula of propyl acetate
Ball-and-stick model of the propyl acetate molecule
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
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.003.352 Edit this at Wikidata
EC Number
  • 203-686-1
RTECS number
  • AJ3675000
UNII
UN number 1276
  • InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 checkY
    Key: YKYONYBAUNKHLG-UHFFFAOYSA-N checkY
  • InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
    Key: YKYONYBAUNKHLG-UHFFFAOYAC
  • O=C(OCCC)C
Properties
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]
18.9 g/L[2]
Vapor pressure 25 mmHg (20 °C)[1]
−65.91·10−6 cm3/mol
Hazards
GHS labelling:
GHS02: FlammableGHS07: Exclamation mark
Danger
H225, H319, H336
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)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 2: Undergoes violent chemical change at elevated temperatures and pressures, reacts violently with water, or may form explosive mixtures with water. E.g. white phosphorusSpecial hazards (white): no code
2
3
2
Flash point 10 °C (50 °F; 283 K)[2]
450 °C (842 °F; 723 K)
Explosive limits 1.7–8%[1]
Lethal dose or concentration (LD, LC):
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]
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 checkY☒N ?)

References

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  1. ^ a b c d e f NIOSH Pocket Guide to Chemical Hazards. "#0532". National Institute for Occupational Safety and Health (NIOSH).
  2. ^ a b c d e Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
  3. ^ "n-Propyl acetate". Immediately Dangerous to Life or Health Concentrations (IDLH). 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 or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  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
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