Isoamyl lactate
Properties
- Molecular formula
- C8H16O3
- Molar mass
- 160.21 g/mol
- Exact mass
- 160.1099 Da
- Boiling point
- 202.4 °C
- logP
- 0.96Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Not classified as hazardous under GHS by 92 ECHA notifiers. Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
19329-89-6SMILES
CC(C)CCOC(=O)C(C)OInChIKey
CRORGGSWAKIXSA-UHFFFAOYSA-NInChI
InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Propanoic acid, 2-hydroxy-, 3-methylbutyl ester
- Lactic acid, isopentyl ester
- Isopentyl alcohol, lactate
- Isopentyl 2-hydroxypropanoate
- Isopentyl lactate
- 3-Methylbutyl lactate
- 3-Methylbutyl 2-hydroxypropanoate
Work with Isoamyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isobutyl (R)-2-hydroxypropionate61597-96-467 % similar
Propyl (2S)-2-hydroxypropanoate53651-69-765 % similar
Propyl lactate616-09-165 % similar
Isoamyl isobutyrate2050-01-363 % similar
n-Butyl lactate138-22-761 % similar
Butyl (2S)-2-hydroxypropanoate34451-19-961 % similar
Ethyl lactate687-47-858 % similar
Ethyl lactate97-64-358 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds