Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

P4514

Sigma-Aldrich

Phenylacetic acid

Synonym(s):

α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5CH2CO2H
CAS Number:
103-82-2
Molecular Weight:
136.15
Beilstein/REAXYS Number:
1099647
EC Number:
203-148-6
MDL number:
MFCD00004313
UNSPSC Code:
12352100
NACRES:
NA.22

vapor density

~4 (vs air)

vapor pressure

1 mmHg ( 97 °C)

availability

not available in Japan

bp

265 °C (lit.)

mp

76-78 °C (lit.)

density

1.081 g/mL at 25 °C (lit.)

SMILES string

OC(=O)Cc1ccccc1

InChI

1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChI key

WLJVXDMOQOGPHL-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

replaced by

Product No.
Description
Pricing

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Anna Maria Ferrari et al.
Bioorganic & medicinal chemistry, 15(24), 7865-7877 (2007-09-18)
Among the available methods for predicting free energies of binding of ligands to a protein, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics generalized Born surface area (MM-GBSA) approaches have been validated for a relatively limited number of
M Salomé Gachet et al.
Journal of natural products, 73(4), 553-556 (2010-03-24)
In a survey of plants from Ecuador with antiprotozoal activity, Jacaranda glabra was found to show promising activity against the Plasmodium falciparum K1 strain. Subsequently, activity-guided isolation of the dichloromethane extract from the leaves of J. glabra afforded four new
Hagai Tavori et al.
Bioorganic & medicinal chemistry, 16(15), 7504-7509 (2008-06-24)
Paraoxonase1 (PON1) is a HDL bound enzyme and many of the anti-atherogenic properties of HDL are attributed to PON1. The enzyme precise mechanism of protective action and its endogenous substrate remain elusive. PON1 hydrolyzes organophosphates, arylesters and lactones, whereas the
Emeline L Maillet et al.
Journal of medicinal chemistry, 52(21), 6931-6935 (2009-10-13)
We show that phenoxyauxin herbicides and lipid-lowering fibrates inhibit human but not rodent T1R3. T1R3 as a coreceptor in taste cells responds to sweet compounds and amino acids; in endocrine cells of gut and pancreas T1R3 contributes to glucose sensing.
Giorgio Ottaviani et al.
Journal of medicinal chemistry, 50(4), 742-748 (2007-02-16)
The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service