333603
6-Phenylhexanoic acid
98%
Synonym(s):
Benzenehexanoic acid
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About This Item
Linear Formula:
C6H5(CH2)5CO2H
CAS Number:
Molecular Weight:
192.25
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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