(S)-Butane-1,2-diol

C4H10O2CAS 73522-17-590.12 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C4H10O2
Molar mass
90.12 g/mol
Exact mass
90.0681 Da
logP
-0.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
73522-17-5
SMILES
CC[C@@H](CO)O
InChIKey
BMRWNKZVCUKKSR-BYPYZUCNSA-N
InChI
InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-1,2-Butanediol

Work with (S)-Butane-1,2-diol

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.

(2R)-1,2-Butanediol40348-66-1Enantiomer 1,2-Butanediol584-03-2Stereo not defined 1,2-Butanediol26171-83-5Stereo not defined

Similar compounds

3-Pentanol584-02-165 % similar Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar (3R,6R)-3,6-Octanediol129619-37-058 % similar 1,2-Pentanediol5343-92-055 % similar Diglycerin59113-36-952 % similar Diglycerin627-82-752 % similar 3-Methoxy-1,2-propanediol36887-04-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 Propylene glycol monomethyl ether1320-67-8 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7

Elsewhere

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