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Glyceryl Stearate
CAS: 11099-07-3 | C21H44O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
11099-07-3
Molecular Formula:
C21H44O5
Molecular Weight:
376.57800000000003 g/mol
Names and Synonyms:
Glyceryl Stearate
Common Name
Monomuls 90S18
Synonym
Estol 1461
Synonym
Greenfad 2800SE
Synonym
MSD 608
Synonym
Nikkol GMS-BV 2
Synonym
OLML
Synonym
Hard Palm Stearin
Synonym
Nikkol MGS-BV 2
Synonym
Rita GMS
Synonym
MGS-ASEV
Synonym
Excel P 95
Synonym
Lasemul 92AE
Synonym
Nikkol MGS-F 75V
Synonym
Geleol
Synonym
Imwitor 800
Synonym
Cadenax GS 90
Synonym
Poem S 95
Synonym
Pristerene 4931
Synonym
Atmul 67
Synonym
Emalex GMS-F
Synonym
Lasemul 92N40
Synonym
Monogrol
Synonym
Witconol MST
Synonym
Dub GMS
Synonym
Dracorin GMS
Synonym
Nikkol MGS-F 40
Synonym
Estol 1462
Synonym
Stepan GMS S.E
Synonym
GMS-SE
Synonym
Rikemal S 95
Synonym
S 95
Synonym
S 200
Synonym
Cutina MD
Synonym
Rylo MD 50
Synonym
Pristerene 4913
Synonym
Safacid 16/18MS
Synonym
Safacid 16/18AM
Synonym
Kemester 6000
Synonym
Pationic 1052
Synonym
Pationic 1052K
Synonym
Tegomuls 4100
Synonym
Poem S 200
Synonym
Precirol WL 2155
Synonym
Glycerin stearate
Synonym
Atmer 123
Synonym
Sunsoft 30
Synonym
Lexemul 530
Synonym
Lexemul 515
Synonym
Excel 150
Synonym
AM 111
Synonym
AM 112
Synonym
AM 113
Synonym
AM 111 (surfactant)
Synonym
Stearine
Synonym
Precirol Special WL 2155
Synonym
Emulgator C
Synonym
Polynol
Synonym
Atmos 150
Synonym
Rikemal S 200P
Synonym
Tegomuls 90S
Synonym
Tegin special
Synonym
EG 11
Synonym
Rikemal S 200
Synonym
Glyceryl stearate
Synonym
Atmer 122
Synonym
Atmul 124
Synonym
Atmul P 40S
Synonym
Vinlub
Synonym
Tegin 515
Synonym
T 4
Synonym
T 4 (glyceride)
Synonym
Glycerol stearic acid ester
Synonym
Octadecanoic acid glycerol ester
Synonym
Margamuls
Synonym
Glycerol stearate
Synonym
Glycerin stearic acid ester
Synonym
Stearin
Synonym
Octadecanoic acid, ester with 1,2,3-propanetriol
Synonym
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChI:
InChI=1S/C18H36O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);3-6H,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 | 376.58 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CCCCCCCCCCCCCCCCC.OCC(O)CO None | Legacy Database |
| cas-inchi | InChI=1S/C18H36O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);3-6H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CKQVRZJOMJRTOY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 60 °C None | Legacy Database |
| cas-name | Glyceryl stearate None | Legacy Database |
| LogP | 4.664400000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 376.57800000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 376.3188745079999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 18 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.36020000000008 | RDKit |