Dihexyl phthalate

• Catalog Number: ACM68515504-2
• Product Name: Dihexyl phthalate
• CAS: 68515-50-4
• Category: Polymer/Macromolecule
• Synonyms: Di-n-hexyl phthalate
• IUPAC Name: Dihexyl benzene-1,2-dicarboxylate
• Molecular Weight: 334.4
• Molecular Formula: C20H30O4
• Canonical SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
• InChI: InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
• InChI Key: KCXZNSGUUQJJTR-UHFFFAOYSA-N
• Boiling Point: 210°C (5mm)
• Flash Point: 379°F
• Density: 1.01 (20°C)
• Alpha Sort: Dihexyl phthalate
• Complexity: 320
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 334.21440943
• Formal Charge: 0
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 334.21440943
• Rotatable Bond Count: 14
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 37cs (20°C)

Custom Q&A

What is the molecular formula of dihexyl phthalate?

The molecular formula of dihexyl phthalate is C20H30O4.

What is the molecular weight of dihexyl phthalate?

The molecular weight of dihexyl phthalate is 334.4 g/mol.

Is dihexyl phthalate soluble in water?

No, dihexyl phthalate is insoluble in water.

What is the IUPAC name of dihexyl phthalate?

The IUPAC name of dihexyl phthalate is dihexyl benzene-1,2-dicarboxylate.

What is the InChI of dihexyl phthalate?

The InChI of dihexyl phthalate is InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3.

What is the InChIKey of dihexyl phthalate?

The InChIKey of dihexyl phthalate is KCXZNSGUUQJJTR-UHFFFAOYSA-N.

What is the canonical SMILES of dihexyl phthalate?

The canonical SMILES of dihexyl phthalate is CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC.

What is the CAS number of dihexyl phthalate?

The CAS number of dihexyl phthalate is 84-75-3.

What is the UNII of dihexyl phthalate?

The UNII of dihexyl phthalate is 42MAH1QFG5.

What is the ChEMBL ID of dihexyl phthalate?

The ChEMBL ID of dihexyl phthalate is CHEMBL3181956.