chempirical

n-Butyl lactate

C7H14O3CAS 138-22-7146.19 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
Density
0.9837 g/mL (at 20 °C)
Melting point
−28 °C
Boiling point
186 °C
Flash point
71.1 °C (closed cup)
Water solubility
miscible
logP
0.71Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 1,950 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
138-22-7
SMILES
CCCCOC(=O)C(C)O
InChIKey
MRABAEUHTLLEML-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Propanoic acid, 2-hydroxy-, butyl ester
  • Lactic acid, butyl ester
  • 2-Hydroxypropanoic acid butyl ester
  • Butyl α-hydroxypropionate
  • Butyl lactate
  • (±)-n-Butyl lactate
  • α-Hydroxypropionic acid butyl ester
  • Butyl 2-hydroxypropanoate
  • Butyl 2-hydroxypropionate
  • NSC 6533
  • Purasolv BL
  • 2-Hydroxypropionic acid 1-butyl ester

Work with n-Butyl 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

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.

Butyl (2S)-2-hydroxypropanoate34451-19-9Defined stereoisomer

Similar compounds

Propyl (2S)-2-hydroxypropanoate53651-69-779 % similar Propyl lactate616-09-179 % similar Dibutyl tartrate87-92-368 % similar Butyl isobutyrate97-87-065 % similar Butyl (2S)-2-hydroxybutanoate132513-51-062 % similar Ethyl lactate687-47-861 % similar Ethyl lactate97-64-361 % similar Isoamyl lactate19329-89-661 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5

Elsewhere

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