1-Phenylicosane-1,3-dione - 58446-52-9

1-Phenylicosane-1,3-dione

Catalog Number: EVT-3160675
CAS Number: 58446-52-9
Molecular Formula: C26H42O2
Molecular Weight: 386.6 g/mol
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Product Introduction

Description
1-Phenylicosane-1,3-dione is an aromatic ketone with the molecular formula C26H42O2 . It is also known by other names such as Stearoylbenzoylmethane, Phenylicosane-1,3-dione, and Benzoylstearoyl methane .

Molecular Structure Analysis

The molecular structure of 1-Phenylicosane-1,3-dione is characterized by a long aliphatic chain attached to a phenyl group and two carbonyl groups . The InChI code for this compound is 1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 .

Physical And Chemical Properties Analysis

1-Phenylicosane-1,3-dione has a molecular weight of 386.6 g/mol . It is a solid at room temperature . The compound has a high logP value of 9.9, indicating that it is highly lipophilic .

Properties

CAS Number

58446-52-9

Product Name

1-Phenylicosane-1,3-dione

IUPAC Name

1-phenylicosane-1,3-dione

Molecular Formula

C26H42O2

Molecular Weight

386.6 g/mol

InChI

InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3

InChI Key

LRQGFQDEQPZDQC-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

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