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Propyl acetate information


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
CAS Number
  • 109-60-4 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:40116 checkY
ChEMBL
  • ChEMBL44857 checkY
ChemSpider
  • 7706 checkY
DrugBank
  • DB01670 checkY
ECHA InfoCard 100.003.352 Edit this at Wikidata
EC Number
  • 203-686-1
PubChem CID
  • 7997
RTECS number
  • AJ3675000
UNII
  • 4AWM8C91G6 checkY
UN number 1276
CompTox Dashboard (EPA)
  • DTXSID6021901 Edit this at Wikidata
InChI
  • 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
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
 GHS02: FlammableGHS07: Exclamation mark
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)
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]
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 checkY☒N ?)
Infobox references

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]

  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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Propyl acetate

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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...

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Propyl group

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connectivity of the atoms. n-Propyl acetate is an ester which has the n-propyl group attached to the oxygen atom of the acetate group. Isopropyl alcohol Isopropylamine...

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Isopropyl acetate

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Ethyl acetate

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skin. The irritant effect of ethyl acetate is weaker than that of propyl acetate or butyl acetate. "ethyl acetate MSDS". NIOSH Pocket Guide to Chemical...

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Propylene glycol methyl ether acetate

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Acetic acid

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paints and coatings. The esters include ethyl acetate, n-butyl acetate, isobutyl acetate, and propyl acetate. They are typically produced by catalyzed reaction...

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Butyl acetate

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stereoisomers) of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate (two enantiomers). Butyl acetate is commonly manufactured...

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Ester

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Sn, Pb); for example, according to them, trimethylstannyl acetate (or trimethyltin acetate) CH3COOSn(CH3)3 is a trimethylstannyl ester of acetic acid...

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C5H10O2

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Isopropyl acetate Methylbutanoic acids 2-Methylbutanoic acid 3-Methylbutanoic acid (isovaleric acid) Methyl butyrate Methyl isobutyrate Pivalic acid Propyl acetate...

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Azeotrope tables

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List of esters

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List of UN numbers 1201 to 1300

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1274 3 n-Propanol or propyl alcohol, normal UN 1275 3 Propionaldehyde UN 1276 3 n-Propyl acetate UN 1277 3 Propylamine UN 1278 3 Propyl chloride UN 1279 3...

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Methyl acetate

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Methyl acetate, also known as MeOAc, acetic acid methyl ester or methyl ethanoate, is a carboxylate ester with the formula CH3COOCH3. It is a flammable...

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Propanephosphonic acid anhydride

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acid. Its structure is a cyclic trimer, with a phosphorus–oxygen core and propyl groups and additional oxygens attached. The chemical is a useful reagent...

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List of additives in cigarettes

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juice Potassium sorbate L-Proline Propenylguaethol Propionic acid Propyl acetate Propyl para-hydroxybenzoate Propylene glycol 3-Propylidenephthalide Prune...

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Flammability limit

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5–10.1 IA Flammable gas 0.25 @ 5.2%; 0.0021, in pure oxygen 480 °C Propyl acetate 2 8 13 °C Propylene 2.0 11.1 IA −108 °C 0.28 458 °C Propylene oxide...

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C6H12O2

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C6H12O2: Butyl acetate sec-Butyl acetate tert-Butyl acetate Ethyl butyrate Isobutyl acetate Isoamyl formate Methyl pentanoate Methyl pivalate Propyl propanoate...

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Fusicoccin

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10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate Identifiers CAS Number 20108-30-9 3D model (JSmol) Interactive image...

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Strawberry

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nonanal nonanoic acid ocimenol octyl acetate octyl butyrate octyl hexanoate octyl isovalerate propyl butyrate propyl hexanoate As strawberry flavor and...

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C4H8O2

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1,4-Dioxane Ethyl acetate 3-Hydroxybutanal γ-Hydroxybutyraldehyde 3-Hydroxytetrahydrofuran Isobutyric acid Methyl propanoate Propyl formate Isopropyl...

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Drosophila falleni

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infected flies to become more averse to acetate-containing compounds such as ethyl acetate or propyl acetate. Conversely, infected flies become more attracted...

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Osanetant

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Treatment with acid gives 3-[3-(3,4-Dichlorophenyl)-2,6-dioxopiperidin-3-yl]propyl acetate, CID:70104936 (4). Reduction of the imide with Borane dimethylsulfide...

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Isopropyl alcohol

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p. 749. ISBN 9780911910278. Logsden, John E.; Loke, Richard A. (1999). "Propyl Alcohols". In Kroschwitz, Jacqueline I. (ed.). Kirk-Othmer Concise Encyclopedia...

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Immediately dangerous to life or health

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Lower explosive limit LEL) 109-60-4 0940 n-Propyl acetate 7106 mg/m3 1700 ppm 109604 71-23-8 0553 n-Propyl alcohol 1968 mg/m3 800 ppm 71238 78-87-5 0441...

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C10H12O2

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Szyszkowski equation

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Butyronitrile

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Howardula aoronymphium

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differ. Infected flies become more averse to acetate-containing compounds such as ethyl acetate or propyl acetate. Conversely, infected flies become more attracted...

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