Compound: Di-(2-ethylhexyl) terephthalate
SMILES: O=C(OCC(CCCC)CC)c1ccc(C(=O)OCC(CCCC)CC)cc1
InChIKey: RWPICVVBGZBXNA-UHFFFAOYSA-N
Synonyms: Di-(2-ethylhexyl) terephthalate, 1,4-DEHT, RefChem:568745, Eastman DOTP Plasticizer, 6422-86-2, BIS(2-ETHYLHEXYL) TEREPHTHALATE, Kodaflex DOTP, Di(2-ethylhexyl) terephthalate, bis(2-ethylhexyl) benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester, Terephthalic acid, bis(2-ethylhexyl) ester, dioctyl terepthalate, MFCD00072256, Eastman 168, DTXSID7027625, diethylhexyl terephthalate, Terephthalic acid bis(2-ethylhexyl) ester, 4VS908W98L, 1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl)ester, 1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester, DTXCID507625, CAS-6422-86-2, DEHTP, CCRIS 7052, HSDB 6150, EINECS 229-176-9, BRN 2302822, bis(2-ethylhexyl)terephthalate, UNII-4VS908W98L, AI3-17104, Palatinol DOTP, Plasticizer 168, Eastman TM 168, Terephthalic acid, bis(2-ethylhexyl)ester, ADK Cizer D 810, Plastic additive 27 CRS, EC 229-176-9, 1,4-bis(2-ethylhexyl) benzene-1,4-dicarboxylate, Dioctyl terephthalate (DOTP), Dioctyl terephthalate, ~80%, SCHEMBL110764, di-(2-ethylhexyl)terephthalate, Dioctyl terephthalate, >=96%, orb1987355, CHEMBL1871770, EASTMAN 168 PLASTICIZER, Tox21_200461, Tox21_300322, JP 110, MSK002105, UN 488, AKOS028108403, NCGC00164195-01, NCGC00164195-02, NCGC00164195-03, NCGC00254126-01, NCGC00258015-01, LS-15075, Terephthalic acid, bis-2-ethylhexyl ester, MSK002105-1000, terephthalic acid bis(2-ethyl-hexyl) ester, NS00007552, ST50405527, (+/-)-BIS(2-ETHYLHEXYL) TEREPHTHALATE, BIS(2-ETHYLHEXYL) TEREPHTHALATE [HSDB], 2-ethylhexyl 4-[(2-ethylhexyl)oxycarbonyl]benzoate, Bis(2-ethylhexyl) terephthalate, analytical standard, bis[(2R)-2-ethylhexyl] benzene-1,4-dicarboxylate, Q5279087, Terephthalic acid, bis-2-ethylhexyl ester 100 microg/mL in Acetonitrile, Bis[(2R)-2-ethylhexyl] benzene-1,4-dicarboxylate Solution in Hexane, 1000?g/mL, 229-176-9
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:
boiling_point: 383 °C
melting_point: -48 °C
density: 0.9825 at 20/20 °C
solubility: In water, 4.0 mg/L at 20 °C
flash_point: 238 °C or 460 °F (open cup)
vapor_pressure: 0.0000214 [mmHg]
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Bis(2-ethylhexyl) terephthalate, commonly abbreviated DEHT (Dioctyl terephthalate or DOTP), is an organic compound with the formula C6H4(CO2C8H17)2. It is a diester of terephthalic acid and the branched-chain 2-ethylhexanol, which is often generically referred to as octyl.  This colorless viscous liquid is used for softening PVC plastics and is known for chemical similarity to general purpose phthalates such as DEHP and DINP, but without any negative regulatory pressure. It possesses very good plasticizing properties and may be used as a direct replacement for DEHP and DINP in many applications.