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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
1,2,3-Propanetriol
Glycerol
Propanetriol
2-Propanol, 1,3-dihydroxy-
Glycerin
Glycerine
Glyceritol
Glycyl alcohol
Trihydroxypropane
Glyrol
Glysanin
Osmoglyn
1,2,3-Trihydroxypropane
Pricerine 9091
Bulbold
Glyceol Opthalgan
IFP
Tryhydroxypropane
Incorporation factor
Cristal
E 422
Mackstat H 66
NSC 9230
RG-S
Emery 916
Emery 917
DG
Pricerine 9088
RG
RG (moisturizing agent)
GL 300
G 101
DG Glycerin
Glycerin DG
Cognis G
M 314429
Glycerin RG
Pricerine 9090
Glycerin S
Croderol GV 9000
Oleon Nv
Palmera G 9091
Speziol G 86PF
Kollisolv G 85
Speziol G 99.8PF
Kollisolv G 99
GLY 995
Advanced Eye Relief
A 106
Imex Glycerine
Glycerin D
XR-LGLY 20L
Eyeon Protect
PZN 7474853
G 7757
Purene
YM 185
Triol VE
Triose sugar alcohol
LY 95
Civeq
Ecocerol
Glycerin 4812
HY 0
Superol K
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.6681000000000001 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.1784 | RDKit |
