chempirical

2-Propen-1-yl 2-butenoate

C7H10O2CAS 20474-93-5126.15 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
Density
0.944 g/mL (at 20 °C)
Boiling point
88–89 °C (at 70 Torr)
logP
1.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 131 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number
20474-93-5
SMILES
C=CCOC(=O)C=CC
InChIKey
WNJBUWVXSNLWEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Butenoic acid, 2-propen-1-yl ester
  • Crotonic acid, allyl ester
  • 2-Butenoic acid, 2-propenyl ester
  • Allyl crotonate
  • NSC 18598
  • Allyl 2-butenoate

Work with 2-Propen-1-yl 2-butenoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diallyl maleate999-21-376 % similar Allyl acrylate999-55-361 % similar Ethyl trans-crotonate623-70-155 % similar Allyl cinnamate1866-31-553 % similar Vinyl crotonate14861-06-450 % similar Allyl chloroformate2937-50-050 % similar Isobutyl crotonate589-66-250 % similar Allyl acetate591-87-750 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook