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Bis(2-Ethylhexyl) Phthalate
CAS: 117-81-7 | C24H38O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
117-81-7
Molecular Formula:
C24H38O4
Molecular Mass:
390.56 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl) Phthalate
1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) o-phthalate
DOF (Russian plasticizer)
DOF
Sansocizer DOP
Monocizer DOP
Etalon (plasticizer)
Etalon
Hatco DOP
Sconamoll DOP
Di(isooctyl) phthalate
Sansocizer R 8000
Corflex 400
Phthalic acid di(2-ethylhexyl) ester
Vinycizer 80K
Plasthall DOP
Diacizer DOP
Jayflex DOP
3315AF2
Garbeflex DOP-D 40
Flexol DOD
Palatinol AH-L
NSC 17069
ESBO-D 82
Palatinol DOP
ZS (plasticizer)
ZS
Scandinol SC 1000
R 8000
DOPT
Diplast O
Codan Set L 86P
JSSD-DOP
D 109648
YGT 3
LGflex DPHP
JSWD DOP
JSWD-DOP
Phthalic acid, bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Compound 889
DOP
Flexol DOP
Octoil
Pittsburgh PX 138
Staflex DOP
Truflex DOP
Witcizer 312
Octyl phthalate
Palatinol AH
Dioctyl phthalate
Kodaflex DOP
Sicol 150
Ethylhexyl phthalate
Vestinol AH
Bisoflex 81
Phthalic acid dioctyl ester
Bis(2-ethylhexyl) 1,2-benzenedicarboxylate
2-Ethylhexyl phthalate
Bis(2-ethylhexyl) phthalate
Kodaflex DEHP
DEHP
Fleximel
Di(2-ethylhexyl) phthalate
Eviplast 80
Eviplast 81
Vinycizer 80
Bisoflex DOP
Good-rite GP 264
Ergoplast FDO
Reomol D 79P
Ergoplast FDO-S
Identifiers:
SMILES:
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChI:
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
Key Properties
Boiling Point
230 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
-55 °C
CAS Common Chemistry
Density
0.99 g/cm³
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 |
| 390.5640000000003 g/mol | RDKit | |
| 390.277009696 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9861 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_phthalate | CAS Common Chemistry |
| Boiling Point | 230 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -55 °C | CAS Common Chemistry |
| Name | Dioctyl phthalate | CAS Common Chemistry |
| Bis(2-ethylhexyl) phthalate | 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 | 113.61900000000009 | RDKit |
