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(-)-Glycidol
CAS: 60456-23-7 | C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60456-23-7
Molecular Formula:
C3H6O2
Molecular Mass:
74.08 g/mol
Names and Synonyms:
(-)-Glycidol
2-Oxiranemethanol, (2S)-
Oxiranemethanol, (S)-
Oxiranemethanol, (2S)-
(2S)-2-Oxiranemethanol
(-)-D-Glycidol
(S)-Glycidol
(-)-Glycidol
(-)-2,3-Epoxy-1-propanol
(S)-(-)-Oxiranemethanol
(S)-(-)-Glycidol
S-Glycidyl alcohol
(S)-Oxiran-2-ylmethanol
(2S)-2-Oxiranylmethanol
(S)-2-Oxiranemethanol
2-Oxiranemethanol (2S)-
Identifiers:
SMILES:
OC[C@H]1CO1
InChI:
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1
Key Properties
Melting Point
72-73 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.07900000000001 g/mol | RDKit | |
| 74.036779432 g/mol | RDKit | |
| Canonical SMILES | OCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CTKINSOISVBQLD-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 72-73 °C | CAS Common Chemistry |
| Name | (-)-Glycidol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.76 Ų | RDKit |
| LogP | -0.6225 | RDKit |
| Molar Refractivity | 16.8258 | RDKit |
