Compound: DIETHYL PHTHALATE
SMILES: O=C(OCC)c1c(C(=O)OCC)cccc1
InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
Synonyms: DIETHYL PHTHALATE, 84-66-2, Ethyl phthalate, phthalic acid diethyl ester, Anozol, Neantine, Phthalol, Solvanol, diethyl benzene-1,2-dicarboxylate, Palatinol A, Placidol E, Unimoll DA, Diethyl o-phthalate, Phthalsaeurediaethylester, o-Bis(ethoxycarbonyl)benzene, Diethyl 1,2-benzenedicarboxylate, Estol 1550, 1,2-Benzenedicarboxylic acid, diethyl ester, Di-n-ethyl phthalate, Diethyl o-phenylenediacetate, 1,2-Diethyl phthalate, Phthalic acid, diethyl ester, o-Benzenedicarboxylic acid diethyl ester, RCRA waste number U088, Diethylester kyseliny ftalove, 1,2-benzenedicarboxylic acid diethyl ester, 1,2-diethyl benzene-1,2-dicarboxylate, NCI-C60048, DTXSID7021780, DPX-F5384, NSC-8905, Diethyl-o-phthalate, O-phthalic acid, diethyl ester, UF064M00AF, CHEBI:34698, 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester, DTXCID901780, Diethyl ester of phthalic acid, RefChem:5747, 201-550-6, Diethyl ester, Diethylphthalate, diethyl phtalate, NSC 8905, MFCD00009111, Diethyl phthalate (NF), Diethyl phthalate [NF], Diethy phthalate, Diethyl-1,2-benzenedicarboxylate, PHTHALIC ACID ETHYL ESTER, NCGC00090974-03, o-Benzenedicarboxylic acid, diethyl ester, Diethyl phthalate, 99%, ethyl 2-(ethoxycarbonyl)benzoate, CAS-84-66-2, SMR000857334, CCRIS 2675, HSDB 926, Phthalsaeurediaethylester [German], EINECS 201-550-6, Diethyl phthalate, PESTANAL(R), analytical standard, Diethylester kyseliny ftalove [Czech], RCRA waste no. U088, BRN 1912500, UNII-UF064M00AF, AI3-00329, Phthalic acid, bis-ethyl ester, Kodaflex DEP, O-diethylphthalate, Diethyl phthalic acid, Diclofenac Impurity N, Diethyl phthalate CRS, Diethyl Phthalate, NF, diethyl 1,2-benzenedioate, bmse000846, diethyl ester-phthalic acid, Epitope ID:140105, EC 201-550-6, WLN: 2OVR BVO2, Diethyl phthalate, >=99%, Diethyl phthalate, 99.5%, SCHEMBL22296, 4-09-00-03172 (Beilstein Handbook Reference), MLS001336021, MLS001336022, MLS002152901, MLS002177800, BIDD:ER0639, SCHEMBL129924, DIETHYL PHTHALATE [II], CHEMBL388558, orb1680000, orb3025671, SCHEMBL1452206, Diethyl phthalate, >=99.5%, DIETHYL PHTHALATE [HSDB], SCHEMBL11463319, SCHEMBL29404255, 1,2-benzenedioicacid,diethylester, DIETHYL PHTHALATE [VANDF], ETHYL PHTHALATE [WHO-DD], MSK1118, NSC8905, DIETHYL PHTHALATE [MART.], Diethyl phthalate, LR, >=99%, HMS2233J05, HMS3369G01, PHTHALIC ACID,DIETHYL ESTER, DIETHYL PHTHALATE [USP-RS], STR04116, Tox21_111050, Tox21_201874, Tox21_300183, BBL011577, SBB060561, STL163320, AKOS000119867, EBC-627299, PHTHALIC ACID ETHYL ESTER [MI], DIETHYL PHTHALATE [EP MONOGRAPH], NCGC00090974-01, NCGC00090974-02, NCGC00090974-04, NCGC00090974-05, NCGC00090974-06, NCGC00254098-01, NCGC00259423-01, benzene-1,2-dicarboxylic acid diethyl ester, CS-0013981, NS00009893, P0296, ST50406385, Diethyl ester of 1,2-Benzenedicarboxylic acid, EN300-20094, D03804, 1,2-Benzenedicarboxylic acid 1,2-diethyl ester, Diethyl phthalate, SAJ special grade, >=98.0%, F223219, Q419811, F1908-0104, Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard, Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard, Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H
Theoretical properties:
molecular_formula: C12H14O4
molecular_weight: 222.24 g/mol
exact_mass: 222.08920892 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 6
heavy_atom_count: 16
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless oily liquid
color: Colorless oily liquid
odor: Practically odorless
boiling_point: 568 °F at 760 mmHg (NTP, 1992)
melting_point: 27 °F (NTP, 1992)
density: 1.12 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 284 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 227.8 °F ; 5 mmHg at 285.3 °F (NTP, 1992)
Descriptions:
pubchem: Diethyl phthalate is the diethyl ester of benzene-1,2-dicarboxylic acid. It has a role as a teratogenic agent, a neurotoxin and a plasticiser. It is an ethyl ester, a phthalate ester and a diester.
chebi: The diethyl ester of benzene-1,2-dicarboxylic acid.
chembl: DIETHYL PHTHALATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Diethyl phthalate (DEP) is a phthalate ester with the formula C6H4(COOC2H5)2 (or C12H14O4). It is a colourless liquid without significant odour but with a bitter disagreeable taste.