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Molecule
Bis(2-Ethylhexyl) Terephthalate
CAS: 6422-86-2 · C24H38O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6422-86-2
- Molecular Formula
- C24H38O4
- Molecular Mass
- 390.56 g/mol
Identifiers
CAS Registry Number
6422-86-2
SMILES
CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1
InChI Key
RWPICVVBGZBXNA-UHFFFAOYSA-N
InChI
InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
Names and Synonyms
- Bis(2-Ethylhexyl) Terephthalate Common Name
- 1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester Synonym
- Terephthalic acid, bis(2-ethylhexyl) ester Synonym
- 1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester Synonym
- Bis(2-ethylhexyl) terephthalate Synonym
- Kodaflex DOTP Synonym
- Di(2-ethylhexyl) terephthalate Synonym
- JP 110 Synonym
- Eastman 168 Synonym
- DOTP Synonym
- Plasticizer 168 Synonym
- NEO-T Synonym
- ADK Cizer D 810 Synonym
- Dioctyl terephthalate Synonym
- Eastman TM 168 Synonym
- UN 488 Synonym
- Palatinol DOTP Synonym
- 168SG Synonym
- Eastman 168SG Synonym
- HCCFlex SP 390 Synonym
- Cizer D 810 Synonym
- Di(2-ethylhexan-1-yl) terephthalate Synonym
- UN 4885 Synonym
- Oxoplast OT Synonym
- SP 390 Synonym
- LF 30 Synonym
- LGflex GL 300 Synonym
- GL 300 Synonym
- DY 39 Synonym
- D 810 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.56 g/mol | CAS Common Chemistry |
| 390.56400000000025 g/mol | RDKit | |
| 390.564 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_terephthalate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RWPICVVBGZBXNA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -48 °C | CAS Common Chemistry |
| Name | Dioctyl terephthalate | CAS Common Chemistry |
| Bis(2-ethylhexyl) terephthalate | CAS Common Chemistry | |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 6.433000000000007 | RDKit |
| 6.433 | RDKit | |
| 6.53 | chempirical lib | |
| Molar Refractivity | 113.61900000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 390.277009696 g/mol | RDKit |
| Boiling Point | 383 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 390.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H38O4.
