1,3-Butanediol
Also known as 1,3-butylene glycol, beta-Butylene glycol, Methyltrimethylene glycol, Butane-1,3-diol, 1-Methyl-1,3-propanediol, 1,3-Dihydroxybutane, 1,3 Butylene glycol, (RS)-1,3-Butandiol
1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH, not to be confused with 1,4 Butanediol. With two alcohol functional groups, the molecule is classified as a diol. The compound without the R (or D) designation is racemic, which is what has been used in most studies before 2023. The compound is a colorless, bittersweet, water-soluble liquid. It is one of four common structural isomers of butanediol. It is used in grape flavoring, and as a precursor to some antibiotics.
Chemical data
- Formula
- C4H10O2
- Molecular weight
- 90.12 g/mol
- IUPAC name
- butane-1,3-diol
- SMILES
- CC(CCO)O
- InChIKey
- PUPZLCDOIYMWBV-UHFFFAOYSA-N
- XLogP
- -0.4
- Polar surface area
- 40.5 Ų
- H-bond donors
- 2
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem