Back to Search
Molecule
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
Identifiers
CAS Registry Number
94-28-0
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
InChI Key
FRQDZJMEHSJOPU-UHFFFAOYSA-N
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
Names and Synonyms
- Eastman Teg-Eh Synonym
- Hexanoic acid, 2-ethyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester Synonym
- Hexanoic acid, 2-ethyl-, diester with triethylene glycol Synonym
- Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester Synonym
- Triethylene glycol, bis(2-ethylhexanoate) Synonym
- Triethylene glycol di-2-ethylhexoate Synonym
- Flexol 3GO Synonym
- Triethylene glycol di(2-ethylhexanoate) Synonym
- 3GO Synonym
- Triethylene glycol bis(ethylhexanoate) Synonym
- S 2075 Synonym
- TegMeR 803 Synonym
- 3G8 Synonym
- Triethylene glycol 2-ethylhexanoic acid diester (1:2) Synonym
- Solusolv 2075 Synonym
- WVC 3800 Synonym
- Triethylene glycol diisooctanoate Synonym
- Oxsoft 3G8 Synonym
- Eastman TEG-EH Synonym
- TEG-EH Synonym
- 3GEH Synonym
- Proviplast 1783 Synonym
- Plasticizer 3GO Synonym
- 1,2-Bis-[2-(2-ethyl-hexanoyloxy)-ethoxy]-ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 402.57 g/mol | CAS Common Chemistry |
| 402.57200000000023 g/mol | RDKit | |
| 402.572 g/mol | RDKit | |
| 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 |
| 4.5388 | RDKit | |
| Molar Refractivity | 110.16800000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 402.298139064 g/mol | RDKit |
| Boiling Point | 200-210 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 402.57 g/mol. Edit any field — others recompute live.
