R-(-)-1,2-Propanediol

C₃H₈O₂CAS 4254-14-276.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₈O₂
Molar mass: 76.09 g/mol
Exact mass: 76.0524 Da
Melting point: −60 °C
Boiling point: 85–86 °C (at 10 Torr)
logP: -0.64Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation14.3% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 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

4254-14-2

SMILES

C[C@@H](O)CO

InChIKey

DNIAPMSPPWPWGF-GSVOUGTGSA-N

InChI

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all

1,2-Propanediol, (R)-
1,2-Propanediol, (R)-(-)-
(-)-Propylene glycol
1-Deoxy-sn-glycerol
R-(-)-Propylene glycol
D-(-)-Propanediol
(-)-1,2-Propanediol
(R)-1,2-Propanediol
(R)-2-Hydroxy-1-propanol
(R)-Propylene glycol
NSC 90793
(2R)-1,2-Propanediol
1,2-Propanediol, (2R)-
(R)-(-)-1,2-Propanediol
(2R)-Propane-1,2-diol

Work with R-(-)-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.

(+)-1,2-Propanediol4254-15-3Enantiomer 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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