113190

1-Phenyloctane

98%

• Synonym(s): Octylbenzene
• Linear Formula: C₆H₅(CH₂)₇CH₃
• CAS Number: 2189-60-8
• Molecular Weight: 190.32
• Beilstein: 1906253
• EC Number: 218-582-1
• MDL number: MFCD00009564
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847141
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• refractive index: n20/D 1.484 (lit.)
• bp: 261-263 °C (lit.)
• mp: −36 °C (lit.)
• density: 0.858 g/mL at 25 °C (lit.)
• functional group: phenyl
• SMILES string: CCCCCCCCc1ccccc1
• InChI: 1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
• InChI key: CDKDZKXSXLNROY-UHFFFAOYSA-N

Description

General description

Octylbenzene (1-Phenyloctane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.

Application

1-Phenyloctane is used as a solvent to study the self-assembly of derivatives of tetrathiafulvalene (TTF) on graphite and their visualization by scanning tunnelling microscopy (STM). It is also used to study the effects of the substitution of these compounds on the interactions between them.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 224.6 °F - closed cup
• Flash Point(C): 107 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves