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Propylene Glycol

CAS: 57-55-6 | C3H8O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 57-55-6
Molecular Formula: C3H8O2
Molecular Weight: 76.095 g/mol

Names and Synonyms:

Propylene Glycol
1,2-Propanediol
PG 12
1,2-Dihydroxypropane
Methylethylene glycol
Monopropylene glycol
Propylene glycol
α-Propylene glycol
1,2-Propylene glycol
Sirlene
2,3-Propanediol
Methylethyl glycol
2-Hydroxypropanol
Isopropylene glycol
Solar Winter Ban
Ucar 35
Solargard P
Dowfrost
1000PG
DL-1,2-Propanediol
dl-Propylene glycol
(±)-Propylene glycol
(±)-1,2-Propanediol
(RS)-1,2-Propanediol
1,2-(RS)-Propanediol
NSC 69860
Adeka Propylene Glycol PG-P
PG-T (glycol)
PG-T
Adeka PG
ProGlyc 55
Safewing MP-I 1938
Safewing MP-IV 2001
DC 403
Nybrine NFP
Kilfrost ABC-S
Propyless
Kollisolv PG
HCH 195
Susterra PDO
Kilfrost ABC K Plus
Kilfrost DF K Plus
BS 12
Radianol 4713
Radianol 4710

Identifiers:

SMILES:
CC(O)CO
InChI:
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 76.10 g/mol Legacy Database
density 1.04 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Propylene_glycol None Legacy Database
cas-boiling-point 188.2 °C None Legacy Database
cas-canonical-smile OCC(O)C None Legacy Database
cas-density 1.036 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 None Legacy Database
cas-inchi-key InChIKey=DNIAPMSPPWPWGF-UHFFFAOYSA-N None Legacy Database
cas-melting-point -59 °C None Legacy Database
cas-name (±)-Propylene glycol None Legacy Database
wikipedia-name Propylene glycol None Legacy Database
LogP -0.6405000000000001 RDKit

Molecular

Property Value Source
Molecular Weight 76.095 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 76.052429496 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 5 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 40.46 Ų RDKit

Molar

Property Value Source
Molar Refractivity 18.7666 RDKit

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