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Molecule
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 Mass
- 76.10 g/mol
Identifiers
CAS Registry Number
57-55-6
SMILES
CC(O)CO
InChI Key
DNIAPMSPPWPWGF-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Names and Synonyms
- Propylene Glycol Synonym
- 1,2-Propanediol Synonym
- PG 12 Synonym
- 1,2-Dihydroxypropane Synonym
- Methylethylene glycol Synonym
- Monopropylene glycol Synonym
- Propylene glycol Synonym
- α-Propylene glycol Synonym
- 1,2-Propylene glycol Synonym
- Sirlene Synonym
- 2,3-Propanediol Synonym
- Methylethyl glycol Synonym
- 2-Hydroxypropanol Synonym
- Isopropylene glycol Synonym
- Solar Winter Ban Synonym
- Ucar 35 Synonym
- Solargard P Synonym
- Dowfrost Synonym
- 1000PG Synonym
- DL-1,2-Propanediol Synonym
- dl-Propylene glycol Synonym
- (±)-Propylene glycol Synonym
- (±)-1,2-Propanediol Synonym
- (RS)-1,2-Propanediol Synonym
- 1,2-(RS)-Propanediol Synonym
- NSC 69860 Synonym
- Adeka Propylene Glycol PG-P Synonym
- PG-T (glycol) Synonym
- PG-T Synonym
- Adeka PG Synonym
- ProGlyc 55 Synonym
- Safewing MP-I 1938 Synonym
- Safewing MP-IV 2001 Synonym
- DC 403 Synonym
- Nybrine NFP Synonym
- Kilfrost ABC-S Synonym
- Propyless Synonym
- Kollisolv PG Synonym
- HCH 195 Synonym
- Susterra PDO Synonym
- Kilfrost ABC K Plus Synonym
- Kilfrost DF K Plus Synonym
- BS 12 Synonym
- Radianol 4713 Synonym
- Radianol 4710 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.10 g/mol | CAS Common Chemistry |
| 76.095 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.036 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene_glycol | CAS Common Chemistry |
| Boiling Point | 188.2 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DNIAPMSPPWPWGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -59 °C | CAS Common Chemistry |
| Name | (±)-Propylene glycol | CAS Common Chemistry |
| Propylene glycol | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | -0.6405000000000001 | RDKit |
| -0.6405 | RDKit | |
| Molar Refractivity | 18.7666 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 76.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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MW = 76.10 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8O2.
