1,2-Pentanediol
Properties
- Molecular formula
- C5H12O2
- Molar mass
- 104.15 g/mol
- Exact mass
- 104.0837 Da
- Density
- 0.9691 g/mL (at 24 °C)
- Boiling point
- 210–211 °C
- logP
- 0.14Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H304 May be fatal if swallowed and enters airways46.8% of notifiers
- H318 Causes serious eye damage37.2% of notifiers
Aggregated from 958 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P301+P316, P305+P354+P338, P317, P331, P405, P501
Identifiers
CAS number
5343-92-0SMILES
CCCC(O)COInChIKey
WCVRQHFDJLLWFE-UHFFFAOYSA-NInChI
InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,2-Dihydroxypentane
- (±)-Pentane-1,2-diol
- NSC 513
- 1,2-Pentylene glycol
- Hydrolite 5
- Diol PD
Work with 1,2-Pentanediol
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
Similar compounds
1,2-Hexanediol6920-22-573 % similar
4-Heptanol589-55-968 % similar
1,2-Octanediol1117-86-867 % similar
1,2-Decanediol1119-86-467 % similar
1,2-Dodecanediol1119-87-567 % similar
1,2-Tetradecanediol21129-09-967 % similar
1,2-Hexadecanediol6920-24-767 % similar
3-Hexanol623-37-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.