6-Phenylhexanoic acid Chemical Properties

Melting point:

17-19°C

Boiling point:

201-202 °C24 mm Hg(lit.)

Density 

1.022 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.51(lit.)

Flash point:

>230 °F

storage temp. 

Store at room temperature

solubility 

Difficult to mix.

pka

4.78±0.10(Predicted)

form 

Solid

color 

White

Water Solubility 

479.8mg/L(30 ºC)

BRN 

1950106

InChI

InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)

InChIKey

JTXZPQIXIXYMDY-UHFFFAOYSA-N

SMILES

C1(CCCCCC(O)=O)=CC=CC=C1

CAS DataBase Reference

5581-75-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29163900

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

6-Phenylhexanoic acid Usage And Synthesis

Chemical Properties

White Solid

Uses

6-Phenylhexanoic Acid (cas# 5581-75-9) is a compound useful in organic synthesis.

Application

6-Phenylhexanoic acid was employed as a model compound to investigate the effects of chromophore orientation and molecular conformation on surface-enhanced Raman scattering based on metal nanostructures. It was also employed as a substrate to study the stoichiometry of side chain metabolism or complete mineralization of surrogate napthenic acids under methanogenic conditions.

General Description

6-Phenylhexanoic acid is an arylalkanoic acid.

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