Diisoheptyl phthalate

• Catalog Number: ACM71888896-1
• Product Name: Diisoheptyl phthalate
• CAS: 71888-89-6
• Category: Polymer/Macromolecule
• Synonyms: Bis(5-methylhexyl) phthalate
• IUPAC Name: Bis(5-methylhexyl) benzene-1,2-dicarboxylate
• Molecular Weight: 362.5
• Molecular Formula: C22H34O4
• Canonical SMILES: CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C
• InChI: InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
• InChI Key: RKELNIPLHQEBJO-UHFFFAOYSA-N
• Boiling Point: 210°C (5mm)
• Melting Point: -40°C
• Flash Point: >230 °F
• Density: 0.99 g/mL
• Alpha Sort: Diisoheptyl phthalate
• Complexity: 365
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 362.24570956
• Formal Charge: 0
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 362.24570956
• Physical State: Liquid
• Rotatable Bond Count: 14
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 50cs (20°C)

Custom Q&A

What is the molecular formula of Diisoheptyl phthalate?

The molecular formula of Diisoheptyl phthalate is C22H34O4.

What is the molecular weight of Diisoheptyl phthalate?

The molecular weight of Diisoheptyl phthalate is 362.5 g/mol.

What are the synonyms of Diisoheptyl phthalate?

The synonyms of Diisoheptyl phthalate are Diisoheptylphthalate and Bis(5-methylhexyl) phthalate.

How is Diisoheptyl phthalate primarily used?

Diisoheptyl phthalate is primarily used as a plasticizer to soften polyvinyl chloride.

In what products can Diisoheptyl phthalate be found?

Diisoheptyl phthalate can be found in glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles.

Why are phthalates considered hazardous?

Phthalates are considered hazardous due to their ability to act as endocrine disruptors.

Are phthalates being phased out of certain products?

Yes, phthalates are being phased out of many products in the United States and European Union due to health concerns.

How many CAS numbers does Diisoheptyl phthalate have?

Diisoheptyl phthalate has three CAS numbers: 41451-28-9, 71888-89-6, and 90937-19-2.

What is the XLogP3 value of Diisoheptyl phthalate?

The XLogP3 value of Diisoheptyl phthalate is 7.4.

What is the topological polar surface area of Diisoheptyl phthalate?

The topological polar surface area of Diisoheptyl phthalate is 52.6Ų.