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Glycidol
CAS: 556-52-5 | C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
556-52-5
Molecular Formula:
C3H6O2
Molecular Mass:
74.08 g/mol
Names and Synonyms:
Glycidol
2-Oxiranemethanol
Glycidol
1-Propanol, 2,3-epoxy-
Oxiranemethanol
Epihydrin alcohol
Glycidyl alcohol
3-Hydroxy-1,2-epoxypropane
Glycide
2,3-Epoxy-1-propanol
Allyl alcohol oxide
3-Hydroxypropylene oxide
1,2-Epoxy-3-hydroxypropane
1-Hydroxy-2,3-epoxypropane
2-(Hydroxymethyl)oxirane
Oxiranylmethanol
Epiol OH
(RS)-Glycidol
dl-Glycidol
(±)-Glycidol
(±)-2,3-Epoxy-1-propanol
Racemic glycidol
NSC 46096
Oxiran-2-ylmethanol
Identifiers:
SMILES:
OCC1CO1
InChI:
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
Key Properties
Boiling Point
160 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-45 °C
CAS Common Chemistry
Density
1.12 g/cm³
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 | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.115 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycidol | CAS Common Chemistry |
| Boiling Point | 160 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CTKINSOISVBQLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45 °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 |
