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279900

Sigma-Aldrich

(S)-(+)-2-Phenylpropionic acid

97%

Synonym(s):

(S)-(+)-Hydratropic acid, (S)-HTA

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About This Item

Linear Formula:
CH3CH(C6H5)CO2H
CAS Number:
7782-24-3
Molecular Weight:
150.17
Beilstein:
2044507
MDL number:
MFCD00063139
UNSPSC Code:
12352002
PubChem Substance ID:
24856916
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

optical activity

[α]20/D +72°, c = 1.6 in chloroform

optical purity

ee: 98% (HPLC)

refractive index

n20/D 1.522 (lit.)

bp

115 °C/1 mmHg (lit.)

mp

29-30 °C (lit.)

density

1.1 g/mL at 25 °C (lit.)

functional group

carboxylic acid
phenyl

SMILES string

C[C@H](C(O)=O)c1ccccc1

InChI

1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1

InChI key

YPGCWEMNNLXISK-ZETCQYMHSA-N

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Application

Chiral building block. Resolving agent

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H317,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

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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Certificates of Analysis (COA)

Lot/Batch Number
STBK6725
STBG5591V
S55595V
S55595
03222AJ

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Michelle Feeney et al.
Drug delivery, 14(2), 87-93 (2007-03-17)
The oral administration of nonsteroidal anti-inflammatory drugs (NSAIDs) is often associated with upper gastrointestinal tract side effects. To reduce these effects and improve the therapeutic efficacy, NSAIDs are often formulated as controlled release systems. We have prepared a new formulation
Y Tanaka et al.
Chirality, 4(6), 342-348 (1992-01-01)
It has been proposed that the chiral inversion of the 2-arylpropionic acids is due to the stereospecific formation of the (-)-R-profenyl-CoA thioesters which are putative intermediates in the inversion. Accordingly, amino acid conjugation, for which the CoA thioesters are obligate
Chunze Li et al.
The Journal of pharmacology and experimental therapeutics, 305(1), 250-256 (2003-03-22)
Two alternative metabolic pathways, acyl glucuronidation and acyl-CoA formation, are implicated in the generation of reactive acylating metabolites of carboxylic acids. Here, we describe studies that determine the relative importance of these two pathways in the metabolic activation of a
M J Thomason et al.
The Journal of pharmacy and pharmacology, 49(3), 263-269 (1997-03-01)
Previous studies have demonstrated that Verticillium lecanii might be used as a microbial model of the inversion of 2-arylpropionic acids in man. This paper describes the optimization of the inversion process in respect of culture medium, pH, cell density and
M Sajewicz et al.
Journal of chromatographic science, 43(10), 542-548 (2006-01-28)
The usefulness of thin-layer chromatography (TLC) as an efficient measuring technique in the studies of oscillatory trans-enantiomerization of profens from the S to the R configuration (and vice versa) during their storage as 70% ethanol solutions is demonstrated in the
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