Compound: DIMETHYL TEREPHTHALATE
SMILES: O=C(OC)c1ccc(C(=O)OC)cc1
InChIKey: WOZVHXUHUFLZGK-UHFFFAOYSA-N
Synonyms: DIMETHYL TEREPHTHALATE, 120-61-6, Dimethyl p-phthalate, 1,4-Benzenedicarboxylic acid, dimethyl ester, dimethyl benzene-1,4-dicarboxylate, Dimethyl 4-phthalate, Terephthalic Acid Dimethyl Ester, Di-Me terephthalate, Dimethyl 1,4-benzenedicarboxylate, Dimethyl p-benzenedicarboxylate, Terephthalic acid, dimethyl ester, Methyl 4-carbomethoxybenzoate, Methyl p-(methoxycarbonyl)benzoate, dimethylterephthalate, NCI-C50055, IKZ2470UNV, DTXSID0020498, NSC-3503, DIMETYHL TEREPHTHALATE, DTXCID60498, CHEBI:156286, RefChem:134279, 204-411-8, Dimethylester kyseliny tereftalove, MFCD00008440, 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester, NSC 3503, 1,4-Benzenedicarboxylic acid dimethyl ester, 1,4-dimethyl benzene-1,4-dicarboxylate, Methyl 4-(carbomethoxy)benzoate, Terephthalic acid, bis-methyl ester, methyl 4-(methoxycarbonyl)benzoate, CAS-120-61-6, CCRIS 266, HSDB 2580, Terephthalate, dimethyl, EINECS 204-411-8, UNII-IKZ2470UNV, Dimethylester kyseliny tereftalove [Czech], AI3-02246, dimethyl terephtalate, di-methyl terephthalate, Dimethylte Rephthalate S, benzene-1,4-dicarboxylic acid dimethyl ester, Dimethyl ester of 1,4-benzenedicarboxylic acid, EC 204-411-8, WLN: 1OVR DVO1, TimTec1_001016, SCHEMBL23600, terephtalic acid dimethylester, terephthalic acid dimethylester, orb1697415, orb3025644, SCHEMBL3062615, CHEMBL1870757, NSC3503, HMS1536O04, HY-Y0383, Tox21_202268, Tox21_300139, DIMETHYL TEREPHTHALATE [HSDB], MSK001924, SBB060564, STL453626, AKOS008902273, EBC-536095, FD62599, MSK001924-100A, MSK001924-1000A, NCGC00164075-01, NCGC00164075-02, NCGC00164075-03, NCGC00164075-04, NCGC00254036-01, NCGC00259817-01, AS-12906, ST010166, SY010818, Dimethyl terephthalate, analytical standard, CS-0015109, NS00002929, TEREPHTHALIC ACID DIMETHYL ESTER [MI], EN300-15446, Dimethyl terephthalate, purum, >=99.0% (GC), Dimethyl terephthalate, ReagentPlus(R), >=99%, AQ-776/41343666, F210227, Q421276, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.1, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.2, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.3, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.4, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.5, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.6, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.7, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.8, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.9, 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTERWI, BRD-K35424448-001-01-4, Dimethyl terephthalate, Vetec(TM) reagent grade, 98%, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.10, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.11, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.12, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.13, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.14, doi:10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N.15, Z16251478, F0001-0330, Dimethyl terephthalate Solution in Acetonitrile, 1000ug/mL, Dimethyl terephthalate Solution in Acetonitrile, 100ug/mL, Dimethyl terephthalate, Standard for quantitative NMR, TraceCERT(R), InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H
Theoretical properties:
molecular_formula: C10H10O4
molecular_weight: 194.18 g/mol
exact_mass: 194.05790880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 14
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorlesss crystals
color: Colorlesss crystals
boiling_point: 572 °F at 760 mmHg (sublimes) (NTP, 1992)
melting_point: 284 to 288 °F (NTP, 1992)
density: 1.2 at 68 °F 1.08 at 145 °C (liquid) (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 55 °F (NTP, 1992)
flash_point: 308 °F (NTP, 1992)
vapor_pressure: 16 mmHg at 212 °F ; 140 mmHg at 302 °F (NTP, 1992)
Descriptions:
pubchem: Dimethyl terephthalate is a diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. It is a methyl ester, a phthalate ester and a diester. It is functionally related to a terephthalic acid.
chebi: A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dimethyl terephthalate (DMT) is an organic compound with the formula C6H4(COOCH3)2. It is the diester formed from terephthalic acid and methanol. It is a white solid that melts to give a distillable colourless liquid. it is an intermediate in some schemes for the recycling of PET, e.g. from plastic bottles.