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异硫氰酸-2-苯乙酯

异硫氰酸-2-苯乙酯用途

异硫氰酸苯乙酯是一种有效的抗真菌剂。2-苯乙基异硫氰酸盐显著抑制链格孢的孢子萌发和菌丝生长,MIC(最小抑制浓度)为1.22 mM。2-苯乙酯异硫氰酸盐对链格孢抗真菌作用可能是通过降低毒素含量和破坏细胞膜完整性[1][2]。

异硫氰酸-2-苯乙酯名称

[ CAS 号 ]:
2257-09-2

[ 中文名 ]:
2-苯基乙基异硫代氰酸酯

[ 英文名 ]:
Phenylethyl isothiocyanate

[中文别名 ]:

[英文别名 ]:

PhCH2CH2NCS
Phenylethyl isothiocyanate
2-Phenylethyl Isothiocyanate
EINECS 218-855-5
PEITC
Isothiocyanic Acid 2-Phenylethyl Ester
Phenylaethylsenfoel
Phenethyl mustard oil
MFCD00004821
Phenethyl Isothiocyanate

异硫氰酸-2-苯乙酯生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 感染

信号通路 >> 抗感染 >> 真菌

[参考文献]

[1]. B. J. Smith, et al. In vitro inhibition of soil microorganisms by 2-phenylethyl isothiocyanate. Plant Pathology. 4 October 2002;51(5):585-593.

[2]. Zhang M, et al. 2-Phenylethyl Isothiocyanate Exerts Antifungal Activity against Alternaria alternata by Affecting Membrane Integrity and Mycotoxin Production. Toxins (Basel). 2020 Feb 15;12(2):124.

异硫氰酸-2-苯乙酯物理化学性质

[ 密度 ]:
1.094 g/mL at 25 °C(lit.)

[ 沸点 ]:
75 °C0.25 mm Hg

[ 分子式 ]:
C₉H₉NS

[ 分子量 ]:
163.23900

[ 闪点 ]:
>230 °F

[ 精确质量 ]:
163.04600

[ PSA ]:
44.45000

[ LogP ]:
2.33190

[ 外观性状 ]:
无色至淡黄色液体

[ 蒸汽压 ]:
0.0427mmHg at 25°C

[ 折射率 ]:
n20/D 1.5888(lit.)

[ 储存条件 ]:
库房通风低温干燥,与食品原料分开储运

[ 水溶解性 ]:
insoluble

异硫氰酸-2-苯乙酯MSDS

异硫氰酸-2-苯乙酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9115000

CHEMICAL NAME :: Isothiocyanic acid, phenethyl ester

CAS REGISTRY NUMBER :: 2257-09-2

BEILSTEIN REFERENCE NO. :: 2084162

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C9-H9-N-S

MOLECULAR WEIGHT :: 163.25

WISWESSER LINE NOTATION :: SCN2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

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

TYPE OF TEST :: Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :: Mammal - species unspecified

DOSE/DURATION :: 800 ug/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993

异硫氰酸-2-苯乙酯安全信息

[ 符号 ]:

GHS07, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302 + H312 + H332-H315-H317-H319-H334-H335

[ 警示性声明 ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R20/21/22

[ 安全声明 (欧洲) ]:
S23-S26-S36-S36/37

[ 危险品运输编码 ]:
UN 2206 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
NX9115000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2930909090

异硫氰酸-2-苯乙酯合成路线

异硫氰酸-2-苯乙酯上下游产品

异硫氰酸-2-苯乙酯上游产品

异硫氰酸-2-苯乙酯下游产品

异硫氰酸-2-苯乙酯海关

[ 海关编码 ]: 2930909090

[ 中文概述 ]:
2930909090. 其他有机硫化合物. 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 ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

异硫氰酸-2-苯乙酯文献

Phenethyl isothiocyanate, a naturally occurring phytochemical, is an antagonist of the aryl hydrocarbon receptor.

Mol. Nutr. Food. Res. 56(3) , 425-34, (2012)

The aryl hydrocarbon (Ah) receptor is a ligand-activated transcription factor that is activated by many carcinogens, and its target gene products play a major role in tumour development, so that antag...

Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).

J. Med. Chem. 51 , 3275-87, (2008)

The chemical space of registered oral drugs was explored for inhibitors of the human multidrug-resistance associated protein 2 (MRP2; ABCC2), using a data set of 191 structurally diverse drugs and dru...

In vitro metabolic conversion of the organic breakdown products of glucosinolate to goitrogenic thiocyanate anion.

J. Sci. Food Agric. 95 , 2244-51, (2015)

Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This stu...

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