chempirical

Allyl propionate

C6H10O2CAS 2408-20-0114.14 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
0.9245 g/mL (at 20 °C)
Boiling point
124 °C
logP
1.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2408-20-0
SMILES
C=CCOC(=O)CC
InChIKey
XRFWKHVQMACVTA-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3

Weigh it out

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

Names and synonyms

7 names
  • Propanoic acid, 2-propen-1-yl ester
  • Propionic acid, allyl ester
  • Propanoic acid, 2-propenyl ester
  • 2-Propenyl propanoate
  • Allyl propanoate
  • NSC 7620
  • Propanoic acid 2-propen-1-yl ester

Work with Allyl propionate

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

Allyl butyrate2051-78-766 % similar 1,6-Di-2-propen-1-yl hexanedioate2998-04-161 % similar Allyl hexanoate123-68-259 % similar 2-Propen-1-yl 2-chloroacetate2916-14-559 % similar Allyl acetoacetate1118-84-958 % similar Allyl heptanoate142-19-858 % similar 2-Propen-1-yl 2-cyanoacetate13361-32-553 % similar Ethyl propionate105-37-352 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook