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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.
All Properties
Comprehensive physical and chemical properties
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6405000000000001 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.7666 | RDKit |
