4-Pentylphenyl 4-octyloxybenzoate,97

• CAS: 50649-56-4
• Catalog Number: ACM50649564
• Category: Organic & Printed Electronics
• Molecular Weight: 396.56224
• Molecular Formula: C₂₆H₃₆O₃
• Synonyms: 4-PENTYLPHENYL 4-OCTYLOXYBENZOATE, 97;4-pentylphenyl 4-octyloxybenzoate;PENTYLPHENYL OCTYLOXYBENZOATE;4-(Octyloxy)benzoic acid 4-pentylphenyl ester
• IUPAC Name: (4-pentylphenyl) 4-octoxybenzoate
• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC
• InChI Key: BDTRDPSFINNZRW-UHFFFAOYSA-N
• Boiling Point: 515.5ºC at 760 mmHg
• Melting Point: 53-57ºC
• Flash Point: >230 °F
• Density: 1.004g/cm³
• EC Number: 256-682-7
• Exact Mass: 396.26600
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C26H36O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 396.6 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (4-pentylphenyl) 4-octoxybenzoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C26H36O3/c1-3-5-7-8-9-11-21-28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is BDTRDPSFINNZRW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC.

What is the CAS number of the compound?

The CAS number of the compound is 50649-56-4.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number of the compound is 256-682-7.

What is the UNII of the compound?

The UNII of the compound is OIC716N0BU.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 9.1.