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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 Weight:
390.5640000000003 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl) Phthalate
Common Name
Ergoplast FDO-S
Synonym
Reomol D 79P
Synonym
Ergoplast FDO
Synonym
Good-rite GP 264
Synonym
Bisoflex DOP
Synonym
Vinycizer 80
Synonym
Eviplast 81
Synonym
Eviplast 80
Synonym
Di(2-ethylhexyl) phthalate
Synonym
Fleximel
Synonym
DEHP
Synonym
Kodaflex DEHP
Synonym
Bis(2-ethylhexyl) phthalate
Synonym
2-Ethylhexyl phthalate
Synonym
Bis(2-ethylhexyl) 1,2-benzenedicarboxylate
Synonym
Phthalic acid dioctyl ester
Synonym
Bisoflex 81
Synonym
Vestinol AH
Synonym
Ethylhexyl phthalate
Synonym
Sicol 150
Synonym
Kodaflex DOP
Synonym
Dioctyl phthalate
Synonym
Palatinol AH
Synonym
Octyl phthalate
Synonym
Witcizer 312
Synonym
Truflex DOP
Synonym
Staflex DOP
Synonym
Pittsburgh PX 138
Synonym
Octoil
Synonym
Flexol DOP
Synonym
DOP
Synonym
Compound 889
Synonym
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Synonym
Phthalic acid, bis(2-ethylhexyl) ester
Synonym
JSWD-DOP
Synonym
JSWD DOP
Synonym
LGflex DPHP
Synonym
YGT 3
Synonym
D 109648
Synonym
JSSD-DOP
Synonym
Codan Set L 86P
Synonym
Diplast O
Synonym
DOPT
Synonym
R 8000
Synonym
Scandinol SC 1000
Synonym
ZS
Synonym
ZS (plasticizer)
Synonym
Palatinol DOP
Synonym
ESBO-D 82
Synonym
NSC 17069
Synonym
Palatinol AH-L
Synonym
Flexol DOD
Synonym
Garbeflex DOP-D 40
Synonym
3315AF2
Synonym
Jayflex DOP
Synonym
Diacizer DOP
Synonym
Plasthall DOP
Synonym
Vinycizer 80K
Synonym
Phthalic acid di(2-ethylhexyl) ester
Synonym
Corflex 400
Synonym
Sansocizer R 8000
Synonym
Di(isooctyl) phthalate
Synonym
Sconamoll DOP
Synonym
Hatco DOP
Synonym
Etalon
Synonym
Etalon (plasticizer)
Synonym
Monocizer DOP
Synonym
Sansocizer DOP
Synonym
DOF
Synonym
DOF (Russian plasticizer)
Synonym
Bis(2-ethylhexyl) o-phthalate
Synonym
1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
Synonym
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 390.56 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_phthalate None | Legacy Database |
| cas-boiling-point | 230 °C @ Press: 5 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC(CC)CCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCC None | Legacy Database |
| cas-density | 0.9861 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -55 °C None | Legacy Database |
| cas-name | Dioctyl phthalate None | Legacy Database |
| wikipedia-name | Bis(2-ethylhexyl) phthalate None | Legacy Database |
| LogP | 6.433000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 390.5640000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 390.277009696 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 14 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 113.61900000000009 | RDKit |