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Bis(2-Ethylhexyl) Terephthalate
CAS: 6422-86-2 | C24H38O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6422-86-2
Molecular Formula:
C24H38O4
Molecular Mass:
390.56 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl) Terephthalate
1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester
Terephthalic acid, bis(2-ethylhexyl) ester
1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) terephthalate
Kodaflex DOTP
Di(2-ethylhexyl) terephthalate
JP 110
Eastman 168
DOTP
Plasticizer 168
NEO-T
ADK Cizer D 810
Dioctyl terephthalate
Eastman TM 168
UN 488
Palatinol DOTP
168SG
Eastman 168SG
HCCFlex SP 390
Cizer D 810
Di(2-ethylhexan-1-yl) terephthalate
UN 4885
Oxoplast OT
SP 390
LF 30
LGflex GL 300
GL 300
DY 39
D 810
Identifiers:
SMILES:
CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1
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
Key Properties
Boiling Point
383 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-48 °C
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 | 390.56 g/mol | CAS Common Chemistry |
| 390.56400000000025 g/mol | RDKit | |
| 390.277009696 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_terephthalate | CAS Common Chemistry |
| Boiling Point | 383 °C @ Press: 760 Torr | 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 |
| LogP | 6.433000000000007 | RDKit |
| Molar Refractivity | 113.61900000000007 | RDKit |
