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333603

Sigma-Aldrich

6-Phenylhexanoic acid

98%

Synonym(s):

Benzenehexanoic acid

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About This Item

Linear Formula:
C6H5(CH2)5CO2H
CAS Number:
5581-75-9
Molecular Weight:
192.25
MDL number:
MFCD00014381
UNSPSC Code:
12352100
PubChem Substance ID:
24860154
NACRES:
NA.22

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.51 (lit.)

bp

201-202 °C/24 mmHg (lit.)

density

1.022 g/mL at 25 °C (lit.)

SMILES string

OC(=O)CCCCCc1ccccc1

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)

InChI key

JTXZPQIXIXYMDY-UHFFFAOYSA-N

Related Categories

General description

6-Phenylhexanoic acid is an arylalkanoic acid.

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

235.4 °F

flash_point_c

113 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Leo Seballos et al.
The Journal of chemical physics, 125(23), 234706-234706 (2006-12-28)
Experimental studies have been carried out to gain a better understanding of the effects of chromophore orientation and molecular conformation on surface-enhanced Raman scattering (SERS) based on metal nanostructures. A series of alkanoic acids that contain a phenyl ring separated
F M Holowenko et al.
Water research, 35(11), 2595-2606 (2001-07-18)
Naphthenic acids (NAs) are a complex mixture of naturally occurring acyclic and cyclic aliphatic carboxylic acids in petroleum. In the Athabasca oil sands. NAs have been identified as the largest component of dissolved organic matter in the tailings waters from
Keishi Yamasaki et al.
Journal of pharmaceutical sciences, 106(9), 2860-2867 (2017-05-01)
Sodium 4-phenylbutyrate (PB) is clinically used as a drug for treating urea cycle disorders. Recent research has shown that PB also has other pharmacologic activities, suggesting that it has the potential for use as a drug for treating other disorders.

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