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4-甲氧基苯乙酸

4-甲氧基苯乙酸用途

【用途一】
用于有机合成，用作葛根素的中间体。

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4-甲氧基苯乙酸名称

[ CAS 号 ]:
104-01-8

[ 中文名 ]:
对甲氧基苯乙酸

[ 英文名 ]:
4-Methoxyphenylacetic acid

[中文别名 ]:

4-甲氧基苯乙酸

[英文别名 ]:

2-(4-methoxyphenyl)acetic acid
Benzeneacetic acid, 4-methoxy-
4-Methoxyphenylacetic acid
EINECS 203-166-4
(4-Methoxyphenyl)acetic acid
QV1R DO1
Homoanisic Acid
MFCD00004345

4-甲氧基苯乙酸生物活性

[ 描述 ]:

2-(4-Methoxyphenyl)acetic acid 是一种血浆代谢物,具有高度敏感性和特异性,可以作为区分非小细胞癌患者和健康对照组之间的生物指标。

[ 相关类别 ]:

天然产物 >> 酸和醛

研究领域 >> 癌症

[ 靶点 ]

Human Endogenous Metabolite

[体外研究]

2-(4-甲氧基苯基)乙酸(4-甲氧基苯乙酸)是一种血浆代谢产物,具有高灵敏度和特异性值作为区分NSCLC和健康对照的生物标志物。 2-(4-甲氧基苯基)乙酸可能起到预防肺癌发展的保护作用[1]。

[参考文献]

[1]. Xiang C, et al. Cortisol, cortisone, and 4-methoxyphenylacetic acid as potential plasma biomarkers for early detection of non-small cell lung cancer. Int J Biol Markers. 2018 Aug;33(3):314-320.

[相关活性小分子]

4-甲氧基苯乙酸物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
306.0±17.0 °C at 760 mmHg

[ 熔点 ]:
84-86 °C(lit.)

[ 分子式 ]:
C₉H₁₀O₃

[ 分子量 ]:
166.174

[ 闪点 ]:
124.3±14.4 °C

[ 精确质量 ]:
166.062988

[ PSA ]:
46.53000

[ LogP ]:
1.42

[ 外观性状 ]:
白色至灰白色粉末

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.538

[ 储存条件 ]:
室温

[ 水溶解性 ]:
6 g/L (20 ºC)

4-甲氧基苯乙酸MSDS

4-甲氧基苯乙酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AI8960000

CHEMICAL NAME :: Acetic acid, p-methoxyphenyl-

CAS REGISTRY NUMBER :: 104-01-8

BEILSTEIN REFERENCE NO. :: 1101737

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C9-H10-O3

MOLECULAR WEIGHT :: 166.19

WISWESSER LINE NOTATION :: QV1R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530656-1 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1550 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,685,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 504 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,709,1977 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 63 gm/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83216 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 373 (estimated)

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4-甲氧基苯乙酸安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302-H315-H318-H335

[ 警示性声明 ]:
P261-P280-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R22;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
AI8960000

[ 海关编码 ]:
29189090

4-甲氧基苯乙酸合成路线

4-甲氧基苯乙酸上下游产品

4-甲氧基苯乙酸上游产品

4-甲氧基苯乙酸下游产品

4-甲氧基苯乙酸制备

由对甲氧基苯乙酮为原料制得。将乙醇、硫磺及六水哌嗪加入反应锅中回流4h，然后蒸出乙醇。将所得硫化哌嗪与对甲氧基苯乙酮在135-140℃反应20h，再加入氢氧化钠回流20h。反应结束后，冷至35℃以下，用盐酸调整pH值至8-9。用离心机分出硫磺后，再中和至pH值为3-4，冷却，离心脱水，将所得粗品精制即得对甲氧基苯乙酸。

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4-甲氧基苯乙酸海关

[ 海关编码 ]: 2918990090

[ 中文概述 ]:
2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-甲氧基苯乙酸文献

A metabolite profiling approach to identify biomarkers of flavonoid intake in humans.

J. Nucl. Med. 139 , 2309-14, (2009)

Flavonoids are phytochemicals that are widespread in the human diet. Despite limitations in their bioavailability, experimental and epidemiological data suggest health benefits of flavonoid consumptio...

Mass spectrometric behavior of phenolic acids standards and their analysis in the plant samples with LC/ESI/MS system.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 967 , 21-7, (2014)

Liquid chromatography coupled to mass spectrometry (MS) with electrospray ionization (ESI) is one of analytical techniques to obtain accurate results of low molecular weight aromatic compounds in biol...

High-performance liquid chromatographic method for screening disorders of aromatic acid metabolism using a multi-detection system.

J. Chromatogr. A. 310(2) , 273-81, (1984)

This paper describes the use of a high-performance liquid chromatograph equipped with an ultraviolet multi-detection system for the analysis of aromatic acids to help establish a high-risk screening s...

更多文献

4-甲氧基苯乙酸

4-甲氧基苯乙酸用途

4-甲氧基苯乙酸名称

4-甲氧基苯乙酸生物活性

4-甲氧基苯乙酸物理化学性质

4-甲氧基苯乙酸MSDS

详细MSDS(安全技术说明书)

4-甲氧基苯乙酸毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

4-甲氧基苯乙酸安全信息

4-甲氧基苯乙酸合成路线

详细合成路线

4-甲氧基苯乙酸上下游产品

4-甲氧基苯乙酸上游产品

4-甲氧基苯乙酸下游产品

4-甲氧基苯乙酸制备

4-甲氧基苯乙酸海关

4-甲氧基苯乙酸文献

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