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Glycol Stearate
CAS: 111-60-4 | C20H40O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-60-4
Molecular Formula:
C20H40O3
Molecular Mass:
328.54 g/mol
Names and Synonyms:
Glycol Stearate
Octadecanoic acid, 2-hydroxyethyl ester
Stearic acid, 2-hydroxyethyl ester
Ethylene glycol, monostearate
S 151
Empilan 2848
Ethylene glycol stearate
Glycol monostearate
Glycol stearate
Ivorit
Monthybase
Monthyle
Parastarin
Prodhybas N
Prodhybase ethyl
Sedetol
Tego-stearate
2-Hydroxyethyl stearate
Emerest 2350
Tegin EGMS-VA
Cutina EGMS
Kessco EGMS
Kessco EGMS 70
Nikkol EGMS 70
Emcol ES 50
Stepan EGMS
EGMS 70V
Emalex EG-M-S
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChI:
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
Key Properties
Boiling Point
>400 °C
CAS Common Chemistry
Melting Point
60.5 °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 | 328.54 g/mol | CAS Common Chemistry |
| 328.53700000000003 g/mol | RDKit | |
| 328.29774513999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycol_stearate | CAS Common Chemistry |
| Boiling Point | >400 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCO)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RFVNOJDQRGSOEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60.5 °C | CAS Common Chemistry |
| Name | Glycol monostearate | CAS Common Chemistry |
| Glycol stearate | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 5.7834000000000065 | RDKit |
| Molar Refractivity | 97.59080000000007 | RDKit |
