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Merck

116807

Sigma-Aldrich

3-苯基丁酸

98%

别名:

(±)-3-苯基丁酸, (±)-β-甲基氢化肉桂酸

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About This Item

线性分子式:
CH3CH(C6H5)CH2COOH
CAS号:
分子量:
164.20
Beilstein:
2044322
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

98%

形狀

solid

bp

170-172 °C/20 mmHg (lit.)

mp

35-38 °C (lit.)

密度

1.515 g/mL at 25 °C (lit.)

官能基

carboxylic acid

SMILES 字串

CC(CC(O)=O)c1ccccc1

InChI

1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChI 密鑰

ZZEWMYILWXCRHZ-UHFFFAOYSA-N

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一般說明

3-苯基丁酸是仲辛基苯氧化的代谢产物

應用

3-苯基丁酸被用于从腐质土中分离紫红红球菌( Rhodococcus rhodochrous )PB1

象形圖

Exclamation mark

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)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

Eyeshields, Gloves, type N95 (US)


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分析证书(COA)

Lot/Batch Number

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S Simoni et al.
Applied and environmental microbiology, 62(3), 749-755 (1996-03-01)
Rhodococcus rhodochrous PB1 was isolated from compost soil by selective culture with racemic 3-phenylbutyric acid as the sole carbon and energy source. Growth experiments with the single pure enantiomers as well as with the racemate showed that only one of
Thi Nhi-Cong Le et al.
Journal of basic microbiology, 50(3), 241-253 (2010-02-10)
A soil bacterium isolated from oil-polluted sand samples collected in the Saudi Arabian Desert has been determined as Nocardia cyriacigeorgica, which has a high capacity of degrading and utilizing a broad range of hydrocarbons. The metabolic pathways of three classes
F S Sariaslani et al.
Journal of bacteriology, 152(1), 411-421 (1982-10-01)
Pseudomonas sp. isolated by selective culture with 3-phenylbutyrate (3-PB) as the sole carbon source metabolized the compound through two different pathways by initial oxidation of the benzene ring and by initial oxidation of the side chain. During early exponential growth
Helge Jochens et al.
Chembiochem : a European journal of chemical biology, 11(13), 1861-1866 (2010-08-04)
Simultaneous multiple site-saturation mutagenesis was performed at four active-site positions of an esterase from Pseudomonas fluorescens to improve its ability to convert 3-phenylbutyric acid esters (3-PBA) in an enantioselective manner. Based on an appropriate codon choice derived from a structural
P D Ross et al.
Biophysical journal, 71(4), 2144-2154 (1996-10-01)
Values of K, delta G(o), delta H(o), delta S(o) and delta C(po) for the binding reaction of small organic ligands forming 1:1 complexes with either alpha- or beta-cyclodextrin were obtained by titration calorimetry from 15 degrees C to 45 degrees

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