Mrv0541 02241204162D          

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M  END
> <DATABASE_ID>
T3D0076

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

> <INCHI_KEY>
BJQHLKABXJIVAM-UHFFFAOYSA-N

> <FORMULA>
C24H38O4

> <MOLECULAR_WEIGHT>
390.5561

> <EXACT_MASS>
390.277009704

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
46.55802920526853

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate

> <ALOGPS_LOGP>
7.07

> <JCHEM_LOGP>
8.025355415999998

> <ALOGPS_LOGS>
-6.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.656156825612498

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
114.405

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.08e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
etalon

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0076

> <NAME>
Di(2-ethylhexyl)phthalate

> <CAS>
117-81-7

> <SYNONYMS>
1, 2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester; 1, 2-Benzenedicarboxylic acid, bis(ethylhexyl) ester; 1,2-Benzenedicarboxylic acid; 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester; 1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester; 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester; 1,2-Benzenedicarboxylic acid, bis(ethylhexyl) ester; 1,2-Benzenedicarboxylic acid, bis-(1-ethylhexyl) ester; 2-Ethylhexyl phthalate; Benzenedicarboxylic acid, bis(2-ethylhexyl) ester; Bi(2-ethylhexyl)trimellitate ester; Bis (2-Etheylexyl) Phthalate; Bis (2-Ethylhexyl) Phthalate (Dioctyl phthalate); Bis(2-ethylhexy) phthalate; Bis(2-ethylhexyl) 1, 2-benzenedicarboxylate; Bis(2-ethylhexyl) 1,2-benzenedicarboxylate; Bis(2-ethylhexyl) o-phthalate; Bis(2-ethylhexyl) phthalate; Bis(2-ethylhexyl) phthalate-ring-UL-14C; Bis(2-ethylhexyl)ester phthalic acid; Bis(ethylhexyl) phthalate; Bis-(2-ethylhexyl) 1,2-benzenedicar boxylate; Bis-(2-ethylhexyl) 1,2-benzenedicarboxylate; Bis-(2-ethylhexyl)-phthalate (DEHP); Bis-2-ethyl-hexyl-phthalate; DEHP; Di(2-Ethylhexyl phthalate); Di(2-ethylhexyl) o-phthalate; Di(2-ethylhexyl) orthophthalate; Di(2-ethylhexyl) phthalate; Di(2-ethylhexyl)orthophthalate; Di(2-ethylhexyl)phthalic acid; Di(ethylhexyl) phthalate; Di-(2-ethylhexyl) phthalate; Di-2 ethyl hexyl adipate; Di-2-ethyl hexyl azelate; Di-2-ethylhexyl phthalate; Di-2-ethylhexylphthalate; Di-iso-octyl phthalate; Di-sec-octyl phthalate; Diacizer dop; Dicapryl phthalate; Diethylhexyl phthalate; Dioctyl o-benzenedicarboxylate; Dioctyl phthalate; Dioctyl-o-benzenedicarboxylate; Dioctylphthalate; Ergoplas t fdo; Ergoplast fdo; Ergoplast fdo-s; Etalon; Etalon (plasticizer); Ethyl hexyl phthalate; Ethylhexyl phthalate; Fleximel; Flexol dop; Flexol plasticizer dop; Good-rite gp 264; Hatcol dop; Hercoflex 260; Jayflex dop; Kodaflex dehp; Kodaflex dop; Kodaflex DP; Merrol dop; Mollan o; Monocizer dop; Morflex 310; Morflex 410; N-dioctyl phthalate; Nuoplaz dop; O-Benzenedicarboxylic acid, dioctyl ester; Octoil; Octyl PH thalate; Octyl phthalate; Phthalic acid bis(2-ethylhexyl ester); Phthalic acid bis(2-ethylhexyl ester)-ring-ul-14C; Phthalic acid bis(2-ethylhexyl) ester; Phthalic acid di(2-ethylhexyl) ester; Phthalic acid dioctyl ester; Phthalic acid, bis(2-ethylhexyl) ester; Phthalic acid, dioctyl ester; Pittsburgh PX-138; Plasthall dop; Plasticizer 28P; Polycizer 162; Polycizer dop; RC plasticizer dop; Reomol D 79P; Reomol DCP; Reomol dop; Sansocizer dop; Sansocizer R 8000; Sconamoll dop; Sicol 150; Staflex dop; Truflex dop; Union carbide flexo l 380; Union carbide flexol 380; Vestinol ah; Vinicizer 80; Witcizer 312

> <TYPES>
Organic Compound; Plasticizer; Aromatic Hydrocarbon; Phthalate; Ether; Ester; Pollutant; Food Toxin; Cosmetic Toxin; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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