Diisohexyl phthalate

Base Information

• Chemical Name: Diisohexyl phthalate
• CAS No.: 259139-51-0
• Molecular Formula: C20H30 O4
• Molecular Weight: 332.43
• Hs Code.: 2917349000
• European Community (EC) Number: 276-090-2
• DSSTox Substance ID: DTXSID20873995
• Nikkaji Number: J342.587H
• Wikidata: Q81981377
• Metabolomics Workbench ID: 155996
• Mol file: 259139-51-0.mol

Synonyms:DIISOHEXYL PHTHALATE;Bis(4-methylpentyl) phthalate;71850-09-4;259139-51-0;146-50-9;bis(4-methylpentyl) benzene-1,2-dicarboxylate;1,2-Benzenedicarboxylic acid, diisohexyl ester;1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester;Phthalic acid, bis-4-methylpentyl ester;Bis(4-methylpentyl) 1,2-benzenedicarboxylate;Phthalic acid, diisohexyl ester;di-isohexyl phthalate;1,2-Benzenedicarboxylic acid diisohexyl ester;Bis(4-methylpentyl)phthalate;Phthalic acid diisohexyl ester;SCHEMBL153412;Bis(4-methylpentyl) phthalate #;DTXSID20873995;ALEROMXYYSQFLX-UHFFFAOYSA-N;AMY28245;EINECS 276-090-2;MFCD00072270;3-Methyl-8-quinolinesulphonylchloride;AKOS024260312;Phthalic acid, di(4-methylpentyl) ester;HY-135357;CS-0111853;FT-0726796;F16439;Bis(4-methylpentyl)phthalate, analytical standard;A877441;1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester (9CI);1,2-Benzenedicarboxylic acid, 1,2-bis(4-methylpentyl) ester

Chemical Property of Diisohexyl phthalate

Chemical Property:

• Boiling Point: 341.5±10.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.010±0.06 g/cm3(Predicted)
• LogP: 4.87260
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 334.21440943
• Heavy Atom Count: 24
• Complexity: 340

Purity/Quality:

97% ^*data from raw suppliers

Bis(4-methylpentyl)Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
• Uses: Bis(4-methyl-2-pentyl)phthalate, is a phthalic acid ester (PAEs), widely used in many consumable products with potential carcinogenic properties. It is also the product of the fermentation of Streptomyces regnesis 099. Bis(4-methylpentyl) Phthalate, is a phthalic acid ester (PAEs), widely used in many consumable products with potential carcinogenic properties. It is also the product of the fermentation of Streptomyces regnesis 099.