Butyl (2S)-2-hydroxypropanoate

C₇H₁₄O₃CAS 34451-19-9146.19 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₇H₁₄O₃
Molar mass: 146.19 g/mol
Exact mass: 146.0943 Da
logP: 0.71Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage25.1% of notifiers
H319 Causes serious eye irritation74.9% of notifiers
H335 May cause respiratory irritation45.6% of notifiers

Aggregated from 215 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34451-19-9

SMILES

CCCCOC(=O)[C@H](C)O

InChIKey

MRABAEUHTLLEML-LURJTMIESA-N

InChI

InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Butyl lactate, (S)-
Propanoic acid, 2-hydroxy-, butyl ester, (2S)-
Propanoic acid, 2-hydroxy-, butyl ester, (S)-
(S)-(+)-Butyl lactate
L-Lactic acid n-butyl ester
(+)-Butyl lactate
Butyl L-(+)-lactate
(+)-n-Butyl lactate
(S)-n-Butyl lactate
Galaster BL97
(-)-Butyl L-lactate

Work with Butyl (2S)-2-hydroxypropanoate

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.

n-Butyl lactate138-22-7Stereo not defined

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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