Compound: Bis(2-ethylhexyl) phthalate
SMILES: O=C(OCC(CCCC)CC)c1c(C(=O)OCC(CCCC)CC)cccc1
InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N
Synonyms: Bis(2-ethylhexyl) phthalate, 117-81-7, Di(2-ethylhexyl) phthalate, Di(2-ethylhexyl)phthalate, Etalon, Ethylhexyl phthalate, Vinicizer 80, Dioctylphthalate, Hercoflex 260, Nuoplaz dop, RC plasticizer DOP, Hatcol dop, Reomol dop, Sansocizer DOP, Ergoplast FDO, Monocizer DOP, Plasthall DOP, Mollan O, Pittsburgh PX-138, Ergoplast FDO-S, Bis(2-ethylhexyl) benzene-1,2-dicarboxylate, Good-rite gp 264, Sconamoll DOP, Diacizer DOP, Di(2-ethylhexyl)orthophthalate, Etalon (plasticizer), Behp, NCI-C52733, Sansocizer R 8000, Di(ethylhexyl) phthalate, Phthalic acid di(2-ethylhexyl) ester, Bis(ethylhexyl) phthalate, Ethyl hexyl phthalate, Di(2-ethylhexyl) o-phthalate, Bis(2-ethylhexyl) 1,2-benzenedicarboxylate, Di(2-ethylhexyl) orthophthalate, DTXSID5020607, Di-(2-ethylhexyl) phthalate, Phthalic Acid Bis(2-ethylhexyl) Ester, Bis(2-ethylhexyl) o-phthalate, CHEBI:17747, 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester, AI3-04273, DTXCID70607, 1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) 1, 2-benzenedicarboxylate, 204-211-0, RefChem:1083240, Bis(2-ethylhexyl)-1,2-benzenedicarboxylate, 617-060-4, DEHP, BIS(2-ETHYLHEXYL)PHTHALATE, Diethylhexyl phthalate, Octoil, 2-Ethylhexyl phthalate, Bisoflex DOP, Di-2-ethylhexyl phthalate, Fleximel, Octyl phthalate, Compound 889, Palatinol AH, Vestinol AH, Kodaflex DOP, Staflex DOP, Truflex DOP, Flexol DOP, Bisoflex 81, Eviplast 80, Eviplast 81, Witcizer 312, Platinol dop, Platinol ah, Flexol plasticizer DOP, Jayflex DOP, Sicol 150, Reomol D 79P, Rcra waste number U028, Phthalic acid dioctyl ester, DOP, MFCD00009493, Phthalic acid, bis(2-ethylhexyl) ester, 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, BIS(2-ETHYLHEXYL) PHTHALATE-D38, Bis-(2-ethylhexyl)ester kyseliny ftalove, C42K0PH13C, 50885-87-5, 8033-53-2, Bis-(2-ethylhexyl)ester kyseliny ftalove [Czech], NSC-17069, Phthalic acid bis(2-ethylhexyl ester), Phthalic acid, bis-2-ethylhexyl ester, NCGC00091499-05, Kodaflex DEHP, 15495-94-0, Caswell No. 392K, 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, HSDB 339, Bis-(2-ethylhexyl)ester kyseliny ftalove (czech), Di-2-ethylhexylphthalate, 2-ethylhexyl 2-[(2-ethylhexyl)oxycarbonyl]benzoate, EINECS 204-211-0, 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, DAF 68, Palatinol DOP, Diethylhexylphthalate; Bis-(2-ethylhexyl) Phthalate; Plastic additive 01; DEHP, Merrol DOP, Palatinol AH-L, Hatco DOP, Vinycizer 80, DEHP (Standard), Corflex 400, Dioctyl phthalate, 99%, Plastic additive 01 CRS, 1, bis(ethylhexyl) ester, DEHP [MI], Epitope ID:140107, EC 204-211-0, WLN: 8OVR BVO8, PLASTIC ADDITIVE 14, di(2-ethyl hexyl) phthalate, SCHEMBL20271, Di(2- ethylhexyl) phthalate, DIOCTYLPHTHALATE [II], 14C -DEHP, 82208-43-3, Di(2-ethylhexyl)phthalateDOP, MLS001333173, MLS001333174, MLS002454397, Diethylhexyl phthalate (DEHP), Diethylhexylphthalate (Bis-(2-ethylhexyl) Phthalate), orb1302558, orb3025710, 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, SCHEMBL29351619, HY-B1945R, MSK1125, GLXC-05279, HMS2233C15, HMS3374J09, HMS5086C16, HY-B1945, NSC17069, Tox21_400084, Bis(2-ethylhexyl)ester phthalic acid, EBC-99042, Phthalic acid, bis-2-ethylhexyl ester 10 microg/mL in Cyclohexane, s3360, SBB061417, BIS(2-ETHYLHEXYL PHTHALATE)-, AKOS024318875, 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-ethythexyl) benzene-1,2-dicarboxylate, CS-0014050, NS00010909, P0297, ST50406397, WLN: 4Y2 & 1OVR BVO1Y4 & 2, EN300-93410, Bis(2-ethylhexyl) phthalate, Selectophore(TM), C03690, G60886, Q418492, 1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester, benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester, BRD-A89471977-001-05-2, Di(2-ethylhexyl) phthalate; Bis(2-ethylhexyl) phthalate, 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, 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
Theoretical properties:
molecular_formula: C24H38O4
molecular_weight: 390.6 g/mol
exact_mass: 390.27700969 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 16
heavy_atom_count: 28
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Slight odor
boiling_point: 723 °F at 760 mmHg (NTP, 1992)
melting_point: -58 °F (NTP, 1992)
density: 0.98 at 77 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 0.1 mg/mL at 72 °F (NTP, 1992)
flash_point: 405 °F (NTP, 1992)
vapor_pressure: 1.32 mmHg at 392 °F (NTP, 1992)
Descriptions:
pubchem: Di(2-ethylhexyl)phthalate (DEHP) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to NIOSH and the FDA.
chebi: A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
chembl: BIS(2-ETHYLHEXYL) PHTHALATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Bis(2-ethylhexyl) phthalate, di-2-ethylhexyl phthalate, diethylhexyl phthalate, diisooctyl phthalate, DEHP; incorrectly — dioctyl phthalate, DIOP) is an organic compound with the formula C6H4(CO2C8H17)2. DEHP is the most common member of the class of phthalates, which are used as plasticizers. It is the diester of phthalic acid and the branched-chain 2-ethylhexanol. This colorless viscous liquid is soluble in oil, but not in water.