1,3-Butanediol

C4H10O2CAS 107-88-090.12 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C4H10O2
Molar mass
90.12 g/mol
Exact mass
90.0681 Da
Density
1.0059 g/mL (at 20 °C)
Melting point
below −50 °C
Boiling point
207.5 °C
pKa
15.1 (25 °C)
Flash point
121 °C (open cup)
Water solubility
miscible
logP
-0.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)

Aggregated from 2,513 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
107-88-0
SMILES
CC(O)CCO
InChIKey
PUPZLCDOIYMWBV-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

Weigh it out

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Names and synonyms

16 names · show all
  • β-Butylene glycol
  • 1,3-Butylene glycol
  • 1,3-Dihydroxybutane
  • Methyltrimethylene glycol
  • 1-Methyl-1,3-propanediol
  • Butylene glycol
  • 3-Hydroxy-1-butanol
  • DL-1,3-Butanediol
  • (±)-Butane-1,3-diol
  • (RS)-1,3-Butanediol
  • NSC 402145
  • 13BGK
  • Jeechem bugl
  • Niax DP 1022
  • Haisugarcane BG
  • Celtol 1,3-BG

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 107-88-0. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 1,3-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.

(+)-1,3-Butanediol24621-61-2Defined stereoisomer (-)-1,3-Butanediol6290-03-5Defined stereoisomer

Similar compounds

(2R,5R)-2,5-Hexanediol17299-07-965 % similar 2,5-Hexanediol2935-44-665 % similar (2S,5S)-(+)-Hexanediol34338-96-065 % similar (+)-2-Pentanol26184-62-352 % similar (2R)-Pentan-2-ol31087-44-252 % similar 2-Pentanol6032-29-752 % similar 5-Methyl-2-hexanol627-59-852 % similar Isoamyl alcohol123-51-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 (+)-2,3-Butanediol19132-06-0

Elsewhere

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