chempirical

Isopropyl lactate

C6H12O3CAS 617-51-6132.16 g/mol

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OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
617-51-6
SMILES
CC(C)OC(=O)C(C)O
InChIKey
KIWATKANDHUUOB-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3

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Names and synonyms

7 names
  • Propan-2-yl 2-hydroxypropanoate
  • Lactic acid, isopropyl ester
  • 1-Methylethyl 2-hydroxypropanoate
  • Propanoic acid, 2-hydroxy-, 1-methylethyl ester
  • Isopropyl 2-hydroxypropanoate
  • (R)-Isopropyl 2-hydroxypropanoate
  • 2-Hydroxy-propionic acid isopropyl ester

Reactions

Work with Isopropyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Methylethyl (2S)-2-hydroxypropanoate63697-00-7Defined stereoisomer

Similar compounds

Diisopropyl tartrate2217-15-464 % similar Diisopropyl (-)-tartrate62961-64-264 % similar Lactic anhydride97-73-463 % similar (+)-Methyl lactate17392-83-558 % similar (-)-Methyl lactate27871-49-458 % similar Methyl lactate547-64-858 % similar Isopropyl isobutyrate617-50-556 % similar Ethyl lactate687-47-852 % 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 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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