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Emerest 2355
CAS: 627-83-8 | C38H74O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
627-83-8
Molecular Formula:
C38H74O4
Molecular Weight:
595.0060000000002 g/mol
Names and Synonyms:
Emerest 2355
Cutina AGS
Glycol distearate
Glycol Distearate
Octadecanoic acid, 1,1′-(1,2-ethanediyl) ester
Stearic acid, ethylene ester
Octadecanoic acid, 1,2-ethanediyl ester
Ethylene glycol, distearate
Ethylene glycol, diester with stearic acid
Ethylene distearate
Ethylene stearate
Elfan L 310
Ethylene glycol dioctadecanoate
Ethylene dioctadecanoate
Nissan Unister E 275
Emalex EG-diS
Unister E 275
Emanon 3201M
Glycolube 674
Cutina K 2-2747
Kemester EGDS
Croda EGDS
EGDS
Kessco EGDS
Pegosperse 50DS
Pegnol EDS
Empilan EGDS/A
Santopearl GE 70
Emanon 3201
Tegin G 1100
Lipo EGDS
NSC 6820
PK 3000AM
Genapol PMS
Mackester EGDS
Tegin BL 315
B-DSP 60
Estepearl 15V
Cithrol EGDS 3432
Emanon 3201MH-V
Galaxy 610
Loxiol EP 237
Pegnol EDS 98K
Tegin EGS
Ethylene glycol distearate
SS-Emalex EG-di-S
DM 125H
Emanon 3201M-V
Estepearl 10V
E 275
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
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 | 595.01 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glycol_distearate None | Legacy Database |
| cas-canonical-smile | O=C(OCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC None | Legacy Database |
| cas-density | 0.8581 g/cm3 @ Temp: 78 °C None | Legacy Database |
| cas-inchi | InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FPVVYTCTZKCSOJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 79 °C None | Legacy Database |
| cas-name | Glycol distearate None | Legacy Database |
| wikipedia-name | Glycol distearate None | Legacy Database |
| LogP | 12.595799999999981 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 595.0060000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 594.5587108479999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 42 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 35 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 181.00999999999945 | RDKit |
