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Molecule
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
Identifiers
CAS Registry Number
111-60-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChI Key
RFVNOJDQRGSOEL-UHFFFAOYSA-N
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
Names and Synonyms
- Glycol Stearate Common Name
- Octadecanoic acid, 2-hydroxyethyl ester Synonym
- Stearic acid, 2-hydroxyethyl ester Synonym
- Ethylene glycol, monostearate Synonym
- S 151 Synonym
- Empilan 2848 Synonym
- Ethylene glycol stearate Synonym
- Glycol monostearate Synonym
- Glycol stearate Synonym
- Ivorit Synonym
- Monthybase Synonym
- Monthyle Synonym
- Parastarin Synonym
- Prodhybas N Synonym
- Prodhybase ethyl Synonym
- Sedetol Synonym
- Tego-stearate Synonym
- 2-Hydroxyethyl stearate Synonym
- Emerest 2350 Synonym
- Tegin EGMS-VA Synonym
- Cutina EGMS Synonym
- Kessco EGMS Synonym
- Kessco EGMS 70 Synonym
- Nikkol EGMS 70 Synonym
- Emcol ES 50 Synonym
- Stepan EGMS Synonym
- EGMS 70V Synonym
- Emalex EG-M-S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 328.54 g/mol | CAS Common Chemistry |
| 328.53700000000003 g/mol | RDKit | |
| 328.537 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 |
| 5.7834 | RDKit | |
| Molar Refractivity | 97.59080000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.95 | RDKit |
| Exact Mass | 328.29774513999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 328.54 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H40O3.
