chempirical

Propyl lactate

C6H12O3CAS 616-09-1132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Density
1.0035 g/mL (at 20 °C)
Boiling point
61 °C (at 10 Torr)
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
616-09-1
SMILES
CCCOC(=O)C(C)O
InChIKey
ILVGAIQLOCKNQA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Propanoic acid, 2-hydroxy-, propyl ester
  • Lactic acid, propyl ester
  • n-Propyl lactate
  • Propyl 2-hydroxypropanoate
  • (±)-n-Propyl lactate
  • Purasolv NPL
  • Propyl 2-hydroxypropionate
  • 2-Hydroxypropanoic acid propyl ester

Work with Propyl 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

Propyl (2S)-2-hydroxypropanoate53651-69-7100 % similar N-Butyl lactate138-22-779 % similar Butyl (2S)-2-hydroxypropanoate34451-19-979 % similar Ethyl lactate687-47-866 % similar Ethyl lactate97-64-366 % similar Isoamyl lactate19329-89-665 % similar Isobutyl (R)-2-hydroxypropionate61597-96-463 % similar Propyl isobutyrate644-49-562 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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