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线性分子式:
CH3CH(C6H5)CO2H
化学文摘社编号:
分子量:
150.17
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2207688
Assay:
97%
Form:
solid
InChI
1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
SMILES string
C[C@@H](C(O)=O)c1ccccc1
InChI key
YPGCWEMNNLXISK-SSDOTTSWSA-N
assay
97%
form
solid
optical activity
[α]20/D −72°, c = 1.6 in chloroform
optical purity
ee: 98% (HPLC)
refractive index
n20/D 1.523 (lit.)
bp
115 °C/1 mmHg (lit.)
mp
29-30 °C (lit.)
density
1.1 g/mL at 25 °C (lit.)
Application
手性结构单元。拆分剂
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
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Christiane Kiske et al.
Journal of agricultural and food chemistry, 67(4), 1187-1196 (2019-01-04)
The enantiomers of a homologous series (C6-C10) of 2-mercapto-4-alkanones were obtained by lipase-catalyzed kinetic resolution of the corresponding racemic 2-acetylthio-4-alkanones. Their configurations were assigned via vibrational circular dichroism and 1H NMR anisotropy based methods. Odor thresholds and odor qualities were
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
Y S He et al.
Yao xue xue bao = Acta pharmaceutica Sinica, 28(12), 893-898 (1993-01-01)
The circadian rhythms of hydratropic acid (HTA) pharmacokinetic parameters were studied by using consinor method. Under standard light-dark cycle, the T1/2 beta and CL of S(+)-HTA, T1/2 beta of R(-)-HTA and CL, MRT of RS (+/-)-HTA were found to have
Y Nakamura et al.
Drug metabolism and disposition: the biological fate of chemicals, 15(4), 529-534 (1987-07-01)
Optical isomerization of 2-phenylpropionic acid (hydratropic acid, HTA) was studied in the organs of male rat in vitro. (R)-(-)-HTA was not isomerized by rat liver homogenate even after the addition of CoA, ATP, and Mg2+ to the incubation mixture; however
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