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Molecule
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
Identifiers
CAS Registry Number
117-81-7
SMILES
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChI Key
BJQHLKABXJIVAM-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(2-Ethylhexyl) Phthalate Common Name
- 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester Synonym
- Bis(2-ethylhexyl) o-phthalate Synonym
- DOF (Russian plasticizer) Synonym
- DOF Synonym
- Sansocizer DOP Synonym
- Monocizer DOP Synonym
- Etalon (plasticizer) Synonym
- Etalon Synonym
- Hatco DOP Synonym
- Sconamoll DOP Synonym
- Di(isooctyl) phthalate Synonym
- Sansocizer R 8000 Synonym
- Corflex 400 Synonym
- Phthalic acid di(2-ethylhexyl) ester Synonym
- Vinycizer 80K Synonym
- Plasthall DOP Synonym
- Diacizer DOP Synonym
- Jayflex DOP Synonym
- 3315AF2 Synonym
- Garbeflex DOP-D 40 Synonym
- Flexol DOD Synonym
- Palatinol AH-L Synonym
- NSC 17069 Synonym
- ESBO-D 82 Synonym
- Palatinol DOP Synonym
- ZS (plasticizer) Synonym
- ZS Synonym
- Scandinol SC 1000 Synonym
- R 8000 Synonym
- DOPT Synonym
- Diplast O Synonym
- Codan Set L 86P Synonym
- JSSD-DOP Synonym
- D 109648 Synonym
- YGT 3 Synonym
- LGflex DPHP Synonym
- JSWD DOP Synonym
- JSWD-DOP Synonym
- Phthalic acid, bis(2-ethylhexyl) ester Synonym
- 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester Synonym
- Compound 889 Synonym
- DOP Synonym
- Flexol DOP Synonym
- Octoil Synonym
- Pittsburgh PX 138 Synonym
- Staflex DOP Synonym
- Truflex DOP Synonym
- Witcizer 312 Synonym
- Octyl phthalate Synonym
- Palatinol AH Synonym
- Dioctyl phthalate Synonym
- Kodaflex DOP Synonym
- Sicol 150 Synonym
- Ethylhexyl phthalate Synonym
- Vestinol AH Synonym
- Bisoflex 81 Synonym
- Phthalic acid dioctyl ester Synonym
- Bis(2-ethylhexyl) 1,2-benzenedicarboxylate Synonym
- 2-Ethylhexyl phthalate Synonym
- Bis(2-ethylhexyl) phthalate Synonym
- Kodaflex DEHP Synonym
- DEHP Synonym
- Fleximel Synonym
- Di(2-ethylhexyl) phthalate Synonym
- Eviplast 80 Synonym
- Eviplast 81 Synonym
- Vinycizer 80 Synonym
- Bisoflex DOP Synonym
- Good-rite GP 264 Synonym
- Ergoplast FDO Synonym
- Reomol D 79P Synonym
- Ergoplast FDO-S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.56 g/mol | CAS Common Chemistry |
| 390.5640000000003 g/mol | RDKit | |
| 390.564 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9861 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_phthalate | 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 |
| 52.6 Ų | RDKit | |
| LogP | 6.433000000000007 | RDKit |
| 6.433 | RDKit | |
| 6.53 | chempirical lib | |
| Molar Refractivity | 113.61900000000009 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 | 230 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H38O4.
