chempirical

Allyl lactate

C6H10O3CAS 5349-55-3130.14 g/mol

Open in Covalent MOL file
OOHO
AlcoholAlkeneEster

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
logP
0.10Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5349-55-3
SMILES
CC(C(=O)OCC=C)O
InChIKey
CYFIHPJVHCCGTF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-3-4-9-6(8)5(2)7/h3,5,7H,1,4H2,2H3

Weigh it out

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

Names and synonyms

8 names
  • Prop-2-enyl 2-hydroxypropanoate
  • Prop-2-en-1-yl 2-hydroxypropanoate
  • Allyl 2-hydroxypropanoate
  • 2-Propenyl 2-hydroxypropionate
  • Propanoic acid, 2-hydroxy-, 2-propenyl ester
  • Prop-2-en-1-yl2-hydroxypropanoate
  • 2-Propen-1-yl 2-hydroxypropanoate
  • 2-Hydroxy-propionic acid allyl ester

Reactions

Work with Allyl lactate

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

Ethyl lactate687-47-856 % similar Ethyl lactate97-64-356 % similar Isobutyl (R)-2-hydroxypropionate61597-96-455 % similar Propyl (2S)-2-hydroxypropanoate53651-69-753 % similar Propyl lactate616-09-153 % similar Isoamyl lactate19329-89-651 % similar n-Butyl lactate138-22-750 % similar Butyl (2S)-2-hydroxypropanoate34451-19-950 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook