Bis(3-methylhexyl) benzene-1,2-dicarboxylate structure

Bis(3-methylhexyl) benzene-1,2-dicarboxylate

bis(3-methylhexyl) benzene-1,2-dicarboxylate

Also Known As: Di(3-methylhexyl)phthalate|DI PHTHALATE|Phthalic acid, bis(3-methylhexyl) ester|bis(3-methylhexyl) benzene-1,2-dicarboxylate|Phthalic acid di(3-methylhexyl) ester|Thiourea,N-(3-iodophenyl)-N'-phenyl|Phthalic acid bis(3-methylhexyl) ester|1,2-bis(3-methylhexyl) benzene-1,2-dicarboxylate|1,1'-(13,24,34,43,53,63-hexaoxine-2,3-diyl)bis(5-hydroxy-14,53-octaoxidan-1-one)

CAS: 53306-53-9
Molecular Formula C22H34O4
Molecular Weight 362.2457 g/mol
LogP 7.8
Topological Polar Surface Area 52.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 14
Exact Mass 362.2457
Monoisotopic Mass 362.2457
Heavy Atoms 26
Complexity 369.0

Chemical Identifiers

CAS Number 53306-53-9
SMILES CCCC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC
InChIKey PLVCZTJOXIYQSA-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.

Catalysts (1 patents) Dyes & Pigments (1 patents) Heterocyclic Building Blocks (4 patents) Organic Building Blocks (2 patents) Photographic Chemicals (114 patents) Polymer Intermediates (31 patents)

Product Overview

Bis(3-methylhexyl) benzene-1,2-dicarboxylate (CAS 53306-53-9), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: bis(3-methylhexyl) benzene-1,2-dicarboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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