Propyl acetate

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
109-60-4 YesY
3D model (Jmol) Interactive image
ChEBI CHEBI:40116 N
ChEMBL ChEMBL44857 YesY
ChemSpider 7706 YesY
DrugBank DB01670 YesY
ECHA InfoCard 100.003.352
PubChem 7997
UNII 4AWM8C91G6 YesY
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]
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
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]
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).
N verify (what is YesYN ?)
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. 1 2 3 4 5 6 "NIOSH Pocket Guide to Chemical Hazards #0532". National Institute for Occupational Safety and Health (NIOSH).
  2. 1 2 3 4 5 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).
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