1,2,4-Butanetriol
Properties
- Molecular formula
- C4H10O3
- Molar mass
- 106.12 g/mol
- Exact mass
- 106.0630 Da
- Density
- 1.1772 g/mL (at 19.64 °C)
- Boiling point
- 167–168 °C (at 11 Torr)
- logP
- -1.28Crippen estimate
- Polar surface area
- 60.7 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation98.9% of notifiers
- H319 Causes serious eye irritation98.9% of notifiers
- H335 May cause respiratory irritation98.9% of notifiers
Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3068-00-6SMILES
OCCC(O)COInChIKey
ARXKVVRQIIOZGF-UHFFFAOYSA-NInChI
InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Triol 124
- 1,3,4-Butanetriol
- 1,2,4-Trihydroxybutane
- 2-Deoxyerythritol
- (±)-1,2,4-Butanetriol
- NSC 60197
- Butan-1,2,4-triol
Work with 1,2,4-Butanetriol
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.
Similar compounds
1,2,6-Hexanetriol106-69-467 % similar
Polyglycerol25618-55-759 % similar
Glycerol56-81-559 % similar
1,2-Pentanediol5343-92-055 % similar
1,2-Hexanediol6920-22-550 % similar
1,2-Octanediol1117-86-846 % similar
1,2-Decanediol1119-86-446 % similar
1,2-Dodecanediol1119-87-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds