Isopentyl pentyl phthalate

• Catalog Number: ACM776297699-1
• Product Name: Isopentyl pentyl phthalate
• CAS: 776297-69-9
• Category: Heterocyclic Organic Compound
• Synonyms: N-Pentyl isopentyl phthalate
• IUPAC Name: 2-O-(3-Methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate
• Molecular Weight: 306.4
• Molecular Formula: C18H26O4
• Canonical SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
• InChI: InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
• InChI Key: MCXWUHMDAJQKBI-UHFFFAOYSA-N
• Boiling Point: 337.5±10.0 °C
• Density: 1.029±0.06 g/cm3
• Complexity: 338
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 306.18310931
• Formal Charge: 0
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 306.18310931
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

Commonly used plasticizers

Isopentyl pentyl phthalate is a commonly used plasticizer, plasticizing effect is good.

Custom Q&A

What is the molecular formula of isopentyl pentyl phthalate?

The molecular formula of isopentyl pentyl phthalate is C18H26O4.

What is the molecular weight of isopentyl pentyl phthalate?

The molecular weight of isopentyl pentyl phthalate is 306.4 g/mol.

What is the IUPAC name of isopentyl pentyl phthalate?

The IUPAC name of isopentyl pentyl phthalate is 2-O-(3-methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate.

What is the InChI of isopentyl pentyl phthalate?

The InChI of isopentyl pentyl phthalate is InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3.

What is the InChIKey of isopentyl pentyl phthalate?

The InChIKey of isopentyl pentyl phthalate is MCXWUHMDAJQKBI-UHFFFAOYSA-N.

What is the canonical SMILES of isopentyl pentyl phthalate?

The canonical SMILES of isopentyl pentyl phthalate is CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C.

What is the CAS number of isopentyl pentyl phthalate?

The CAS number of isopentyl pentyl phthalate is 776297-69-9.

What is the European Community (EC) number of isopentyl pentyl phthalate?

The European Community (EC) number of isopentyl pentyl phthalate is 933-378-9.

What is the XLogP3 value of isopentyl pentyl phthalate?

The XLogP3 value of isopentyl pentyl phthalate is 5.7.

Is isopentyl pentyl phthalate a covalently-bonded unit?

Yes, isopentyl pentyl phthalate is a covalently-bonded unit.