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Eastman Teg-Eh
CAS: 94-28-0 | C22H42O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-28-0
Molecular Formula:
C22H42O6
Molecular Mass:
402.57 g/mol
Names and Synonyms:
Eastman Teg-Eh
Hexanoic acid, 2-ethyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
Hexanoic acid, 2-ethyl-, diester with triethylene glycol
Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
Triethylene glycol, bis(2-ethylhexanoate)
Triethylene glycol di-2-ethylhexoate
Flexol 3GO
Triethylene glycol di(2-ethylhexanoate)
3GO
Triethylene glycol bis(ethylhexanoate)
S 2075
TegMeR 803
3G8
Triethylene glycol 2-ethylhexanoic acid diester (1:2)
Solusolv 2075
WVC 3800
Triethylene glycol diisooctanoate
Oxsoft 3G8
Eastman TEG-EH
TEG-EH
3GEH
Proviplast 1783
Plasticizer 3GO
1,2-Bis-[2-(2-ethyl-hexanoyloxy)-ethoxy]-ethane
Identifiers:
SMILES:
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
InChI:
InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
Key Properties
Boiling Point
200-210 °C @ Press: 0.5 Torr
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 | 402.57 g/mol | CAS Common Chemistry |
| 402.57200000000023 g/mol | RDKit | |
| 402.298139064 g/mol | RDKit | |
| Boiling Point | 200-210 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FRQDZJMEHSJOPU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Eastman TEG-EH | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 4.538800000000004 | RDKit |
| Molar Refractivity | 110.16800000000009 | RDKit |
