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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 Mass:
376.58 g/mol
Names and Synonyms:
Glyceryl Stearate
Octadecanoic acid, ester with 1,2,3-propanetriol
Stearin
Glycerin stearic acid ester
Glycerol stearate
Margamuls
Octadecanoic acid glycerol ester
Glycerol stearic acid ester
T 4 (glyceride)
T 4
Tegin 515
Vinlub
Atmul P 40S
Atmul 124
Atmer 122
Glyceryl stearate
Rikemal S 200
EG 11
Tegin special
Tegomuls 90S
Rikemal S 200P
Atmos 150
Polynol
Emulgator C
Precirol Special WL 2155
Stearine
AM 111 (surfactant)
AM 113
AM 112
AM 111
Excel 150
Lexemul 515
Lexemul 530
Sunsoft 30
Atmer 123
Glycerin stearate
Precirol WL 2155
Poem S 200
Tegomuls 4100
Pationic 1052K
Pationic 1052
Kemester 6000
Monomuls 90S18
Estol 1461
Safacid 16/18AM
Safacid 16/18MS
Pristerene 4913
Rylo MD 50
Cutina MD
S 200
S 95
Rikemal S 95
GMS-SE
Stepan GMS S.E
Estol 1462
Nikkol MGS-F 40
Dracorin GMS
Dub GMS
Witconol MST
Monogrol
Lasemul 92N40
Emalex GMS-F
Atmul 67
Pristerene 4931
Poem S 95
Cadenax GS 90
Imwitor 800
Geleol
Nikkol MGS-F 75V
Lasemul 92AE
Excel P 95
MGS-ASEV
Rita GMS
Nikkol MGS-BV 2
Hard Palm Stearin
OLML
Nikkol GMS-BV 2
MSD 608
Greenfad 2800SE
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
Key Properties
Melting Point
60 °C
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 | 376.58 g/mol | CAS Common Chemistry |
| 376.57800000000003 g/mol | RDKit | |
| 376.3188745079999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCCCCC.OCC(O)CO | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=CKQVRZJOMJRTOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | Glyceryl stearate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| LogP | 4.664400000000006 | RDKit |
| Molar Refractivity | 107.36020000000008 | RDKit |
