chempirical

(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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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 Bis(2,3-dihydroxypropyl) ether627-82-752 % 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

PubChem CAS Common Chemistry NIST WebBook