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About This Item
线性分子式:
CH3CH(C6H5)CO2H
CAS号:
分子量:
150.17
Beilstein:
2207688
MDL號碼:
分類程式碼代碼:
12352002
PubChem物質ID:
NACRES:
NA.22
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化驗
97%
形狀
solid
光學活性
[α]20/D −72°, c = 1.6 in chloroform
光學純度
ee: 98% (HPLC)
折射率
n20/D 1.523 (lit.)
bp
115 °C/1 mmHg (lit.)
mp
29-30 °C (lit.)
密度
1.1 g/mL at 25 °C (lit.)
SMILES 字串
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-/m1/s1
InChI 密鑰
YPGCWEMNNLXISK-SSDOTTSWSA-N
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應用
手性结构单元。拆分剂
包裝
Bottomless glass bottle. Contents are inside inserted fused cone.
訊號詞
Warning
危險聲明
危險分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
230.0 °F - closed cup
閃點（°C）
110 °C - closed cup
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
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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 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
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
Chromatograms
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