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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Quality Level
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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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
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Water research, 35(11), 2595-2606 (2001-07-18)
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