Bis(2-ethylhexyl) phthalate
PubChem CID: 8343
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| Compound Synonyms | Bis(2-ethylhexyl) phthalate, 117-81-7, DEHP, Di(2-ethylhexyl)phthalate, Di(2-ethylhexyl) phthalate, BIS(2-ETHYLHEXYL)PHTHALATE, Diethylhexyl phthalate, 2-Ethylhexyl phthalate, Di-sec-octyl phthalate, Octyl phthalate, Di-2-ethylhexyl phthalate, Fleximel, Etalon, Octoil, Ethylhexyl phthalate, Palatinol AH, Vestinol AH, Bisoflex DOP, Kodaflex DOP, Staflex DOP, Truflex DOP, Flexol DOP, Vinicizer 80, Bisoflex 81, Eviplast 80, Eviplast 81, Hercoflex 260, RC plasticizer DOP, Compound 889, Dioctylphthalate, Witcizer 312, Platinol dop, Nuoplaz dop, Platinol ah, Hatcol dop, Reomol dop, Pittsburgh PX-138, Sansocizer DOP, Ergoplast FDO, Monocizer DOP, Plasthall DOP, Flexol plasticizer DOP, Mollan O, Jayflex DOP, Sicol 150, Ergoplast FDO-S, Di(2-ethylhexyl)orthophthalate, Good-rite gp 264, Reomol D 79P, Bis(2-ethylhexyl) benzene-1,2-dicarboxylate, Di(ethylhexyl) phthalate, Bis(ethylhexyl) phthalate, Rcra waste number U028, Phthalic acid dioctyl ester, NCI-C52733, Di(2-ethylhexyl) o-phthalate, Phthalic acid di(2-ethylhexyl) ester, 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) 1,2-benzenedicarboxylate, DOP, Bis(2-ethylhexyl) o-phthalate, Phthalic acid, bis(2-ethylhexyl) ester, BIS(2-ETHYLHEXYL) PHTHALATE-D38, DTXSID5020607, CHEBI:17747, Phthalic Acid Bis(2-ethylhexyl) Ester, 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester, Bis-(2-ethylhexyl)ester kyseliny ftalove, 352431-42-6, C42K0PH13C, 50885-87-5, 8033-53-2, Bis-(2-ethylhexyl)ester kyseliny ftalove [Czech], Di-(2-ethylhexyl) phthalate, NSC-17069, Phthalic acid bis(2-ethylhexyl ester), Phthalic acid, bis-2-ethylhexyl ester, NCGC00091499-05, Sconamoll DOP, Diacizer DOP, Kodaflex DEHP, 15495-94-0, Etalon (plasticizer), Sansocizer R 8000, Caswell No. 392K, 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester, Behp, Di-2-ethylhexylphthalate, Diplast O, ESBO-D 82, Ergoplast FDO, Ergoplast FDO-S, Etalon, BIS-(2-ETHYLHEXYL) PHTHALATE, Bis(2-ethylhexyl)Phthalate-13C6, DOF [Russian plasticizer], SMR000777878, CCRIS 237, Ethyl hexyl phthalate, HSDB 339, Di(2-ethylhexyl) orthophthalate, Bis-(2-ethylhexyl)ester kyseliny ftalove (czech), EINECS 204-211-0, MFCD00009493, NSC 17069, RCRA waste no. U028, Union carbide flexol 380, Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, EPA Pesticide Chemical Code 295200, BRN 1890696, UNII-C42K0PH13C, AI3-04273, DAF 68, Palatinol DOP, Diethylhexylphthalate, Bis-(2-ethylhexyl) Phthalate, Plastic additive 01, DEHP, Merrol DOP, Palatinol AH-L, Hatco DOP, Vinycizer 80, Di(2-ethylhexyl)phthalate (DEHP), DEHP (Standard), Corflex 400, Dioctyl phthalate, 99%, 1, bis(ethylhexyl) ester, DEHP [MI], Epitope ID:140107, EC 204-211-0, WLN: 8OVR BVO8, Di(2-Ethylhexyl phthalate), PLASTIC ADDITIVE 14, SCHEMBL20271, DIOCTYLPHTHALATE [II], 14C -DEHP, 82208-43-3, MLS001333173, MLS001333174, MLS002454397, DTXCID70607, Diethylhexylphthalate (Bis-(2-ethylhexyl) Phthalate), Dioctyl phthalate, >=99.5%, 1,2-Benzenedicarboxylic acid, bis-(1-ethylhexyl) ester, Bis(2-ethylhexyl) phthalate 100 microg/mL in Methanol, Bis(2-ethylhexyl) phthalate 5000 microg/mL in Methanol, CHEMBL1242017, SCHEMBL21733281, HY-B1945R, MSK1125, HMS2233C15, HMS3374J09, HY-B1945, NSC17069, Tox21_400084, Bis(2-ethylhexyl)ester phthalic acid, Phthalic acid, bis-2-ethylhexyl ester 10 microg/mL in Cyclohexane, s3360, BIS(2-ETHYLHEXYL PHTHALATE)-, AKOS024318875, 1ST1125, PLASTIC ADDITIVE 14 [USP-RS], NCGC00091499-01, NCGC00091499-02, NCGC00091499-04, NCGC00091499-06, NCGC00091499-07, CAS-117-81-7, DI(2-ETHYLHEXYL)PHTHALATE [IARC], MSK1125-1000, BIS(2-ETHYLHEXYL)PHTHALATE [HSDB], DB-208351, Bis(2-ethylhexyl) 1, 2-benzenedicarboxylate, CS-0014050, NS00010909, P0297, WLN: 4Y2 & 1OVR BVO1Y4 & 2, EN300-93410, 1ST1125-1000, Bis(2-ethylhexyl) phthalate, Selectophore(TM), C03690, G60886, 1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate, Q418492, 1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester, benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester, BRD-A89471977-001-05-2, F0001-0292, Z1267670415, Bis(2-ethylhexyl) phthalate Solution in Hexane, 1000?g/mL, Bis(2-ethylhexyl) phthalate, SAJ first grade, >=98.0%, Bis(2-ethylhexyl) phthalate Solution in Hexane, 1000mug/mL, Bis(2-ethylhexyl) phthalate, PESTANAL(R), analytical standard, Plastic additive 01, European Pharmacopoeia (EP) Reference Standard, Bis(2-ethylhexyl) phthalate, certified reference material, TraceCERT(R), Plastic additive 14, United States Pharmacopeia (USP) Reference Standard, 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, labeled with carbon-14, InChI=1/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,5-10,13-14,17-18H2,1-4H |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, P15917, P08684, O75164, Q96KQ7, Q9UIF8, P83916, P10828, P11473, Q16236, Q9R1A7, P10145, P51449, P10275, Q03181, P19838 |
| Iupac Name | bis(2-ethylhexyl) benzene-1,2-dicarboxylate |
| Prediction Hob | 0.0 |
| Target Id | NPT94, NPT109 |
| Xlogp | 7.4 |
| Molecular Formula | C24H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.291 |
| Rotatable Bond Count | 16.0 |
| Logd | 5.716 |
| Compound Name | Bis(2-ethylhexyl) phthalate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 390.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.05756822857143 |
| 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 |
| Smiles | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Nipponica (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all