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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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 12.595799999999981 RDKit
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

Molar

Property Value Source
Molar Refractivity 181.00999999999945 RDKit

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