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Glycerol
CAS: 56-81-5 | C3H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-81-5
Molecular Formula:
C3H8O3
Molecular Weight:
92.09400000000001 g/mol
Names and Synonyms:
Glycerol
Synonym
1,2,3-Propanetriol
Synonym
Glycerol
Synonym
Propanetriol
Synonym
2-Propanol, 1,3-dihydroxy-
Synonym
Glycerin
Synonym
Glycerine
Synonym
Glyceritol
Synonym
Glycyl alcohol
Synonym
Trihydroxypropane
Synonym
Glyrol
Synonym
Glysanin
Synonym
Osmoglyn
Synonym
1,2,3-Trihydroxypropane
Synonym
Pricerine 9091
Synonym
Bulbold
Synonym
Glyceol Opthalgan
Synonym
IFP
Synonym
Tryhydroxypropane
Synonym
Incorporation factor
Synonym
Cristal
Synonym
E 422
Synonym
Mackstat H 66
Synonym
NSC 9230
Synonym
RG-S
Synonym
Emery 916
Synonym
Emery 917
Synonym
DG
Synonym
Pricerine 9088
Synonym
RG
Synonym
RG (moisturizing agent)
Synonym
GL 300
Synonym
G 101
Synonym
DG Glycerin
Synonym
Glycerin DG
Synonym
Cognis G
Synonym
M 314429
Synonym
Glycerin RG
Synonym
Pricerine 9090
Synonym
Glycerin S
Synonym
Croderol GV 9000
Synonym
Oleon Nv
Synonym
Palmera G 9091
Synonym
Speziol G 86PF
Synonym
Kollisolv G 85
Synonym
Speziol G 99.8PF
Synonym
Kollisolv G 99
Synonym
GLY 995
Synonym
Advanced Eye Relief
Synonym
A 106
Synonym
Imex Glycerine
Synonym
Glycerin D
Synonym
XR-LGLY 20L
Synonym
Eyeon Protect
Synonym
PZN 7474853
Synonym
G 7757
Synonym
Purene
Synonym
YM 185
Synonym
Triol VE
Synonym
Triose sugar alcohol
Synonym
LY 95
Synonym
Civeq
Synonym
Ecocerol
Synonym
Glycerin 4812
Synonym
HY 0
Synonym
Superol K
Synonym
Identifiers:
SMILES:
OCC(O)CO
InChI:
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 92.09 g/mol | Legacy Database |
| density | 1.26 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycerol None | Legacy Database |
| cas-boiling-point | 290 °C None | Legacy Database |
| cas-canonical-smile | OCC(O)CO None | Legacy Database |
| cas-density | 1.2613 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 20 °C None | Legacy Database |
| cas-name | Glycerol None | Legacy Database |
| wikipedia-name | Glycerol None | Legacy Database |
| LogP | -1.6681000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 92.09400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 92.047344116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.1784 | RDKit |