(+)-1,2-Propanediol

C3H8O2CAS 4254-15-376.09 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C3H8O2
Molar mass
76.09 g/mol
Exact mass
76.0524 Da
Density
1.0364 g/mL (at 20 °C)
Boiling point
88.7 °C (at 13 Torr)
logP
-0.64Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
4254-15-3
SMILES
C[C@H](O)CO
InChIKey
DNIAPMSPPWPWGF-VKHMYHEASA-N
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,2-Propanediol, (2S)-
  • 1,2-Propanediol, (S)-(+)-
  • 1,2-Propanediol, (S)-
  • (2S)-1,2-Propanediol
  • L-(+)-Propylene glycol
  • (+)-(S)-1,2-Propanediol
  • d-Propylene glycol
  • 3-Deoxy-sn-glycerol
  • (S)-1,2-Propanediol
  • L-1,2-Propanediol
  • (S)-(+)-Propylene glycol
  • L-(+)-Propanediol
  • (S)-(+)-Propane-1,2-diol
  • 1,2(S)-Propanediol
  • (S)-2-Hydroxy-1-propanol
  • (S)-Propylene glycol
  • (S)-2-Hydroxypropanol
  • (2S)-Propane-1,2-diol
  • (S)-Propane-1,2-diol

Work with (+)-1,2-Propanediol

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 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.

R-(-)-1,2-Propanediol4254-14-2Enantiomer Propylene glycol57-55-6Stereo not defined

Similar compounds

(2R,5R)-2,5-Hexanediol17299-07-953 % similar 2,5-Hexanediol2935-44-653 % similar (2S,5S)-(+)-Hexanediol34338-96-053 % similar (2R,4R)-(-)-Pentanediol42075-32-153 % similar 2,4-Pentanediol625-69-453 % similar (2S,4S)-(+)-Pentanediol72345-23-453 % similar 1-Chloro-2-propanol127-00-453 % similar (R)-1-Chloro-2-propanol19141-39-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxyethanol109-86-4 Dimethoxymethane109-87-5 Polyethylene glycol monomethyl ether114740-40-8 1,3-Propanediol504-63-2 Polyethylene glycol monomethyl ether9004-74-4

Elsewhere

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