Compound: Dimethyl phthalate
SMILES: O=C(OC)c1c(C(=O)OC)cccc1
InChIKey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
Synonyms: Dimethyl phthalate, 131-11-3, DIMETHYLPHTHALATE, Avolin, Mipax, Palatinol M, Solvanom, Solvarone, Fermine, Dimethyl o-phthalate, Repeftal, Phthalic acid dimethyl ester, Unimoll DM, dimethyl benzene-1,2-dicarboxylate, Dimethyl 1,2-benzenedicarboxylate, Phthalsaeuredimethylester, 1,2-Benzenedicarboxylic acid, dimethyl ester, Dimethyl benzene-o-dicarboxylate, ENT 262, dimethylphtalate, DMF (insect repellant), Dimethyl benzeneorthodicarboxylate, RCRA waste number U102, Phtalate de dimethyle, DTXSID3022455, 08X7F5UDJM, NSC-15398, Dimethylester kyseliny ftalove, 1,2-dimethyl benzene-1,2-dicarboxylate, AI3-00262, Phthalic acid methyl ester, DTXCID502455, Dimethyl 1,2-benzendicarboxylate, o-Dimethyl phthalate, RefChem:5763, DMF (insect repellent), 205-011-6, Methyl phthalate, Phthalic acid, dimethyl ester, 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester, NSC 15398, DMF, insect repellent, MFCD00008425, NTM, CHEMBL323348, Phthalic acid, bis-methyl ester, NCGC00090692-02, DimethylPhthalate-13C2, Dimethyl phthalate 5000 microg/mL in Methanol, Dimethyl phthalate, >=99%, Caswell No. 380, methyl 2-(methoxycarbonyl)benzoate, CAS-131-11-3, Dimethyl phthalate [BSI:ISO], CCRIS 2674, HSDB 1641, PHTHALIC ACID DIMETHYL ESTER (D6), Phthalsaeuredimethylester [German], Phtalate de dimethyle [ISO-French], EINECS 205-011-6, Dimethyl phthalate, PESTANAL(R), analytical standard, RCRA waste no. U102, UNII-08X7F5UDJM, Dimethylester kyseliny ftalove [Czech], EPA Pesticide Chemical Code 028002, Benzenedicarboxylic acid, dimethyl ester, Density Standard 1191 kg/m3, Kemester DMP, Kodaflex DMP, 1,dimethyl ester, Uniplex 110, Dimethyl orthophthalate, 1,2-dimethyl phthalate, Dimethyl phthalate, 99%, Dimethyl phthalate [USP], EC 205-011-6, WLN: 1OVR BVO1, 1,2-benzenedicarboxylic acid 1,2-dimethyl ester, SCHEMBL34630, Dimethyl phthalate, AR,99%, Dimethyl phthalate, CP,99%, MLS002177801, BIDD:ER0349, Dimethyl phthalate (Standard), SCHEMBL130031, SCHEMBL670604, CHEBI:4609, orb1303810, orb3025646, SCHEMBL7647064, DIMETHYL PHTHALATE [II], DIMETHYL PHTHALATE [MI], DIMETHYL PHTHALATE [ISO], SCHEMBL29500970, HY-N7106R, DIMETHYL PHTHALATE [HSDB], MSK1116, HMS5084E16, DIMETHYL PHTHALATE [MART.], DIMETHYL PHTHALATE [WHO-DD], HY-N7106, NSC15398, Tox21_113536, Tox21_202145, Tox21_301045, BDBM50090983, EBC-44403, s5378, SBB060335, STL283931, AKOS008969337, CCG-266531, DB13336, NCGC00090692-01, NCGC00090692-03, NCGC00090692-04, NCGC00090692-05, NCGC00090692-06, NCGC00254947-01, NCGC00259694-01, BS-20466, SMR000777937, DB-062803, benzene-1,2-dicarboxylic acid dimethyl ester, CS-0013572, NS00010268, P0302, ST50406382, EN300-18366, G72747, Dimethyl phthalate, SAJ special grade, >=99.0%, F358221, Q423551, Z57902306, Density Standard 1191 kg/m3, H&D Fitzgerald Ltd. Quality, Phthalic acid, bis-methyl ester 1000 microg/mL in Acetonitrile, BENZENE,1,2-DICARBOXYLIC ACID,DIMETHYL ESTER  (PHTHALIC ACID,DIMETHYL ESTER), InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(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: Pale yellow
color: Pale yellow
odor: Slight aromatic odor
boiling_point: 542.7 °F at 760 mmHg (NTP, 1992)
melting_point: 32 °F (NTP, 1992)
density: 1.1905 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 295 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 212.5 °F ; 5 mmHg at 269.2 °F; 10 mmHg at 297.7 °F (NTP, 1992)
Descriptions:
pubchem: Dimethyl phthalate is a methyl ester, a phthalate ester and a diester.
chembl: DIMETHYL PHTHALATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Dimethyl phthalate (DMP) is an organic compound and phthalate ester. it is a colourless and oily liquid that is soluble in organic solvents, but which is only poorly soluble in water (~4 g/L).
It is used in a variety of products and is most commonly used as insect repellent such as ectoparasiticide for mosquitoes and flies for animal livestock. The short-chain or low molecular weight phthalate is also frequently used in consumer products such as cosmetics, ink, soap, household cleaning supplies, etc. Other uses of DMP include solid rocket propellants (as a stabilizer) and plastics.
The U.S Environmental Protection Agency has classified Dimethyl phthalate as not classifiable for human carcinogenicity. Its oral LD50 is 4390 to 8200 mg/kg bw/d in rats and the dermal LD50 is 38000 mg/kg bw in rats and more than 4800 mg/kg bw in guinea pigs.