Propyl acetate

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Propyl acetate
Structural 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 (Jmol)
ChEBI
ChemSpider
DrugBank
ECHA InfoCard 100.003.352
UNII
Properties
C5H10O2
Molar mass 102.13 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]
18.9 g/L[2]
Vapor pressure 25 mmHg (20°C)[1]
-65.91·10−6 cm3/mol
Hazards
Flammable (F)
Irritant (Xi)
R-phrases R11, R36
S-phrases (S2), S16, S26, S29,
S33
NFPA 704
Flammability code 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., gasoline) Health code 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g., chloroform Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
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]
US health exposure limits (NIOSH):
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

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[edit]

  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 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[edit]