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Dimethyl Phthalate

PubChem CID: 8554

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Compound Synonyms Dimethyl phthalate, 131-11-3, DIMETHYLPHTHALATE, Avolin, Mipax, Palatinol M, Solvarone, Fermine, Solvanom, Dimethyl o-phthalate, Unimoll DM, Phthalic acid dimethyl ester, Repeftal, Dimethyl 1,2-benzenedicarboxylate, dimethyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, dimethyl ester, ENT 262, Phthalsaeuredimethylester, Phthalic acid, dimethyl ester, Dimethyl benzene-o-dicarboxylate, dimethylphtalate, 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester, Caswell No. 380, DMF (insect repellant), Dimethyl benzeneorthodicarboxylate, Phtalate de dimethyle, NSC 15398, CCRIS 2674, HSDB 1641, UNII-08X7F5UDJM, EINECS 205-011-6, 08X7F5UDJM, NSC-15398, EPA Pesticide Chemical Code 028002, DTXSID3022455, DMF, insect repellent, AI3-00262, Phthalic acid methyl ester, NTM, CHEBI:4609, CHEMBL323348, DTXCID502455, Phthalic acid, bis-methyl ester, Dimethyl 1,2-benzendicarboxylate, EC 205-011-6, NCGC00090692-02, Dimethyl phthalate 5000 microg/mL in Methanol, Dimethyl phthalate, >=99%, DIMETHYL PHTHALATE (II), DIMETHYL PHTHALATE [II], DIMETHYL PHTHALATE (MART.), DIMETHYL PHTHALATE [MART.], RCRA waste number U102, CAS-131-11-3, Dimethyl phthalate [BSI:ISO], PHTHALIC ACID DIMETHYL ESTER (D6), Phthalsaeuredimethylester [German], Phtalate de dimethyle [ISO-French], Dimethyl phthalate, PESTANAL(R), analytical standard, RCRA waste no. U102, Dimethylester kyseliny ftalove [Czech], Benzenedicarboxylic acid, dimethyl ester, Dimethylester kyseliny ftalove, Density Standard 1191 kg/m3, Bisoflex DMP, Kemester DMP, Kodaflex DMP, 1,dimethyl ester, Ftalato di metile, MFCD00008425, Uniplex 110, Caswell No 380, Dimethyl orthophthalate, phthalsauredimethylester, 1,2-dimethyl benzene-1,2-dicarboxylate, 1,2-dimethyl phthalate, Dimethyl phthalate, 99%, Dimethyl phthalate [USP], 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), DIMETHYL PHTHALATE [MI], DIMETHYL PHTHALATE [ISO], HY-N7106R, DIMETHYL PHTHALATE [HSDB], FIFRA 028002, DIMETHYL PHTHALATE [WHO-DD], HY-N7106, NSC15398, Tox21_113536, Tox21_202145, Tox21_301045, BDBM50090983, s5378, STL283931, AKOS008969337, CCG-266531, DB13336, USEPA/OPP Pesticide Code: 028002, NCGC00090692-01, NCGC00090692-03, NCGC00090692-04, NCGC00090692-05, NCGC00090692-06, NCGC00254947-01, NCGC00259694-01, 1,2 Benzene dicarboxylacid, dimethylester, BS-20466, SMR000777937, DB-062803, benzene-1,2-dicarboxylic acid dimethyl ester, CS-0013572, NS00010268, P0302, EN300-18366, G72747, Dimethyl phthalate, SAJ special grade, >=99.0%, 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, 205-011-6
Topological Polar Surface Area 52.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 200.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q01959, P31645, P19793, P04150, Q03181, P11473, P10275
Iupac Name dimethyl benzene-1,2-dicarboxylate
Prediction Hob 1.0
Xlogp 1.6
Molecular Formula C10H10O4
Prediction Swissadme 0.0
Inchi Key NIQCNGHVCWTJSM-UHFFFAOYSA-N
Fcsp3 0.2
Logs -1.975
Rotatable Bond Count 4.0
Logd 4.047
Compound Name Dimethyl Phthalate
Prediction Hob Swissadme 0.0
Exact Mass 194.058
Formal Charge 0.0
Monoisotopic Mass 194.058
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 194.18
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.1050960571428567
Inchi InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Smiles COC(=O)C1=CC=CC=C1C(=O)OC
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Paederia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all