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R-(-)-1,2-Propanediol
CAS: 4254-14-2 | C3H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4254-14-2
Molecular Formula:
C3H8O2
Molecular Weight:
76.095 g/mol
Names and Synonyms:
R-(-)-1,2-Propanediol
Synonym
1,2-Propanediol, (R)-
Synonym
1,2-Propanediol, (R)-(-)-
Synonym
(-)-Propylene glycol
Synonym
1-Deoxy-sn-glycerol
Synonym
R-(-)-Propylene glycol
Synonym
D-(-)-Propanediol
Synonym
(-)-1,2-Propanediol
Synonym
(R)-1,2-Propanediol
Synonym
R-(-)-1,2-Propanediol
Synonym
(R)-2-Hydroxy-1-propanol
Synonym
(R)-Propylene glycol
Synonym
NSC 90793
Synonym
(2R)-1,2-Propanediol
Synonym
1,2-Propanediol, (2R)-
Synonym
1,2-Propanediol, (R)-
Synonym
(R)-(-)-1,2-Propanediol
Synonym
(2R)-Propane-1,2-diol
Synonym
Identifiers:
SMILES:
C[C@@H](O)CO
InChI:
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
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 |
| cas-boiling-point | 85-86 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | OCC(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=DNIAPMSPPWPWGF-GSVOUGTGSA-N None | Legacy Database |
| cas-name | R-(-)-1,2-Propanediol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.7666 | RDKit |