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