Propyl acetate

C₅H₁₀O₂CAS 109-60-4102.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
Density: 0.836 g/mL (at 20 °C)
Melting point: −93 °C
Boiling point: 101.5 °C
Flash point: 10 °C (closed cup)
Water solubility: 16 g/L (16 °C)
logP: 0.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects

Harmonised EU classification (CLP Annex VI, index 607-024-00-6[1]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

109-60-4

SMILES

CCCOC(C)=O

InChIKey

YKYONYBAUNKHLG-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

n-Propyl acetate
1-Propyl acetate
1-Acetoxypropane
Propyl ethanoate
n-Propanol acetate
Acetic acid n-propyl ester
NSC 72025
Acetic acid 1-propyl ester
Acetic acid, propyl ester

Work with Propyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl acetate123-86-474 % similar Amyl acetate628-63-771 % similar Glycol diacetate111-55-770 % similar Heptyl acetate112-06-168 % similar Octyl acetate112-14-168 % similar Decyl acetate112-17-468 % similar Dodecyl acetate112-66-368 % similar Hexyl acetate142-92-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0 2-Methylbutanoic acid116-53-0

Elsewhere

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