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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
Monomuls 90S18
Estol 1461
Greenfad 2800SE
MSD 608
Nikkol GMS-BV 2
OLML
Hard Palm Stearin
Nikkol MGS-BV 2
Rita GMS
MGS-ASEV
Excel P 95
Lasemul 92AE
Nikkol MGS-F 75V
Geleol
Imwitor 800
Cadenax GS 90
Poem S 95
Pristerene 4931
Atmul 67
Emalex GMS-F
Lasemul 92N40
Monogrol
Witconol MST
Dub GMS
Dracorin GMS
Nikkol MGS-F 40
Estol 1462
Stepan GMS S.E
GMS-SE
Rikemal S 95
S 95
S 200
Cutina MD
Rylo MD 50
Pristerene 4913
Safacid 16/18MS
Safacid 16/18AM
Kemester 6000
Pationic 1052
Pationic 1052K
Tegomuls 4100
Poem S 200
Precirol WL 2155
Glycerin stearate
Atmer 123
Sunsoft 30
Lexemul 530
Lexemul 515
Excel 150
AM 111
AM 112
AM 113
AM 111 (surfactant)
Stearine
Precirol Special WL 2155
Emulgator C
Polynol
Atmos 150
Rikemal S 200P
Tegomuls 90S
Tegin special
EG 11
Rikemal S 200
Glyceryl stearate
Atmer 122
Atmul 124
Atmul P 40S
Vinlub
Tegin 515
T 4
T 4 (glyceride)
Glycerol stearic acid ester
Octadecanoic acid glycerol ester
Margamuls
Glycerol stearate
Glycerin stearic acid ester
Stearin
Octadecanoic acid, ester with 1,2,3-propanetriol
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.664400000000006 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.36020000000008 | RDKit |
