| 2D Structure | |
| CID | 2347 |
| Target | AR , Chain A, TYROSYL-DNA PHOSPHODIESTERASE (human) , CYP1A2 , CYP2C19 , CYP2C9 , CYP2D6 , CYP3A4 , ESR1 , ESR2 , GLI3 , HDAC9 , NR1I2 , NR1I3 , PGR , TSHR |
| IUPAC Name | 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate |
| InChI | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
| InChI Key | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| Isomeric SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| Molecular Formula | C19H20O4 |
| Molecular Weight | 312.4 |
| synonyms | ['Benzyl butyl phthalate', '85-68-7', 'BUTYL BENZYL PHTHALATE', 'Butylbenzyl phthalate', 'Butylbenzylphthalate', 'Spatozoate', 'Caswell No. 125G', '2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate', 'CCRIS 104', 'DTXSID3020205', 'HSDB 2107', 'UNII-YPC4PJX59M', 'EINECS 201-622-7', 'BRN 2062204', 'benzyl-butyl-phthalate', 'AI3-14777', 'NSC-71001', 'DTXCID70205', '1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester', 'O2-benzyl O1-butyl benzene-1,2-dicarboxylate', 'EC 201-622-7', '4-09-00-03218 (Beilstein Handbook Reference)', 'BUTYL BENZYL PHTHALATE [HSDB]', 'BUTYL BENZYL PHTHALATE [IARC]', 'BUTYL BENZYL PHTHALATE (IARC)', 'Santicizer C 160', 'Benzyl nbutyl phthalate', 'nButyl benzyl phthalate', '1-benzyl 2-butyl benzene-1,2-dicarboxylate', 'S 160', '1-Benzyl 2-butyl phthalate', '1,2-Benzenedicarboxylic acid butyl phenylmethyl ester', 'Benzylbutylester kyseliny ftalove', 'BUTYL BENZYL PHTHALATE [INCI]', 'PHTHALIC ACID, BENZYL BUTYL ETHER', 'Butyl phenylmethyl 1,2-benzenecarboxylate', 'Butyl phenylmethyl 1,2benzenedicarboxylate', 'Butyl phenylmethyl 1,2-benzenedicarboxylic acid', '1,2Benzenedicarboxylic acid, butyl phenylmethyl ester', 'iriaexorfwyrcz-uhfffaoysa-n', 'un3082', 'Sicol', 'Palatinol BB', 'Santicizer 160', 'Unimoll BB', 'n-Butyl benzyl phthalate', 'Sicol 160', 'Benzyl n-butyl phthalate', '1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester', 'Phthalic acid, benzyl butyl ester', 'NCI-C54375', 'BBP', 'NSC 71001', 'Butyl phenylmethyl 1,2-benzenedicarboxylate', 'Benzyl-butylester kyseliny ftalove', 'MFCD00009440', 'YPC4PJX59M', 'Phthalic acid, benzylbutyl ester', 'CHEBI:34595', 'Benzyl Butyl Benzene-1,2-Dicarboxylate', 'NCGC00090780-04', 'benzylbutylphthalate', 'Benzyl butylphthalate', 'Phthalic Acid Benzyl Butyl Ester', 'CAS-85-68-7', 'Ketjenflex 160', 'Benzyl butyl phthalate, analytical standard', 'Diacizer D 160', 'Santicizer S 160', 'Benzyl-butylester kyseliny ftalove [Czech]', 'Spectrum_001977', '4mg6', 'benzyl-n-butyl phthalate', 'SpecPlus_000622', 'Spectrum2_001805', 'Spectrum3_000871', 'Spectrum4_000711', 'Spectrum5_002070', 'WLN: QVR BVO1R', '1, butyl phenylmethyl ester', 'SCHEMBL49678', 'BSPBio_002541', 'KBioGR_001261', 'KBioSS_002543', 'MLS002177799', 'Benzyl butyl phthalate, 98%', 'BIDD:ER0643', 'DivK1c_006718', 'SPBio_001789', '1-Benzyl 2-butyl phthalate #', 'CHEMBL1450327', 'KBio1_001662', 'KBio2_002534', 'KBio2_005102', 'KBio2_007670', 'KBio3_002041', 'MSK1111', 'Benzyl butyl phthalate (Standard)', 'HMS3039O09', 'HY-W011338R', 'NSC71001', 'Phthalic acid, benzylbutyl ester 1000 microg/mL in Cyclohexane', 'TDA95188', 'Tox21_202991', 'Tox21_400057', 'CCG-39615', 's5822', 'AKOS015839717', 'phthalic acid benzyl ester butyl ester', 'CS-W012054', 'HY-W011338', 'NCGC00090780-01', 'NCGC00090780-02', 'NCGC00090780-03', 'NCGC00090780-05', 'NCGC00260536-01', 'DA-71400', 'MSK1111-1000', 'SMR001261796', 'NS00009734', 'P0288', '1ST1111-1000', 'Q414809', 'Benzyl butyl phthalate Solution in Hexane, 1000?g/mL', 'BRD-K34359596-001-02-1', 'Benzyl butyl phthalate Solution in Hexane, 1000mug/mL', 'Benzyl butyl phthalate, certified reference material, TraceCERT(R)', '27G'] |
From Pubchem