(+)-2,3-Butanediol

C4H10O2CAS 19132-06-090.12 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C4H10O2
Molar mass
90.12 g/mol
Exact mass
90.0681 Da
Melting point
18.2 °C
Boiling point
180.5 °C
logP
-0.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
19132-06-0
SMILES
C[C@H](O)[C@H](C)O
InChIKey
OWBTYPJTUOEWEK-IMJSIDKUSA-N
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 2,3-Butanediol, (2S,3S)-
  • 2,3-Butanediol, L-
  • 2,3-Butanediol, [S-(R*,R*)]-
  • (2S,3S)-2,3-Butanediol
  • (S,S)-2,3-Butanediol
  • L-(+)-Butane-2,3-diol
  • (2S,3S)-(+)-2,3-Butanediol
  • Dextro-2,3-butanediol

Work with (+)-2,3-Butanediol

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.

(2R,3R)-Butanediol24347-58-8Enantiomer 2,3-Butanediol513-85-9Stereo not defined

Similar compounds

3-Methyl-2,4-pentanediol5683-44-362 % similar 3-Methyl-2-butanol598-75-462 % similar 1-Cyclopropylethanol765-42-453 % similar Rel-(2R,3S)-3-Mercapto-2-butanol37887-04-050 % similar 3-Mercapto-2-butanol54812-86-150 % similar 1-Cyclopentylethanol52829-98-847 % similar 1-Cyclohexylethanol1193-81-344 % similar Titanium isopropoxide546-68-943 % 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