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异硫氰酸苄酯

异硫氰酸苄酯用途

用作食用香精的配料，特别对于辣味料的调配更具有意义。产品质量：含量大于90%。

异硫氰酸苄酯名称

[ CAS 号 ]:
622-78-6

[ 中文名 ]:
异硫氰酸苯甲酯

[ 英文名 ]:
a-Isothiocyanatotoluene

[中文别名 ]:

[英文别名 ]:

MFCD00004819
Toluene, α-isothiocyanato-
(Isothiocyanatomethyl)benzene
a-Isothiocyanatotoluene
EINECS 210-753-9
Benzyl isothiocyanate
Benzene, (isothiocyanatomethyl)-

异硫氰酸苄酯生物活性

[ 描述 ]:

Benzyl isothiocyanate 是一种天然异硫氰酸酯,具有杀菌活性。Benzyl isothiocyanate 能有效抑制小鼠黑色素瘤细胞的迁移、迁移和侵袭性及 MMP-2 活性。

[ 相关类别 ]:

信号通路 >> 细胞凋亡 >> 细胞凋亡

研究领域 >> 癌症

研究领域 >> 内分泌

信号通路 >> 抗感染 >> 细菌

[参考文献]

[1]. Abdel-Kader MS, et al. Quantitative Analysis of Benzyl Isothiocyanate in Salvadora persica Extract and Dental Care Herbal Formulations Using Reversed Phase C18 High-Performance Liquid Chromatography Method. Pharmacogn Mag. 2017 Oct;13(Suppl 3):S412-S416.

[2]. Lai KC, et al. Benzyl isothiocyanate and phenethyl isothiocyanate inhibit murine melanoma B16F10 cell migration and invasion in vitro. Int J Oncol. 2017 Sep;51(3):832-840.

异硫氰酸苄酯物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
243.8±9.0 °C at 760 mmHg

[ 熔点 ]:
41 °C

[ 分子式 ]:
C₈H₇NS

[ 分子量 ]:
149.213

[ 闪点 ]:
100.4±26.5 °C

[ 精确质量 ]:
149.029922

[ PSA ]:
44.45000

[ LogP ]:
3.02

[ 外观性状 ]:
透明黄色液体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.560

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、酸类、食品添加剂分开存放

异硫氰酸苄酯MSDS

异硫氰酸苄酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8250000

CHEMICAL NAME :: Isothiocyanic acid, benzyl ester

CAS REGISTRY NUMBER :: 622-78-6

BEILSTEIN REFERENCE NO. :: 0386135

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C8-H7-N-S

MOLECULAR WEIGHT :: 149.22

WISWESSER LINE NOTATION :: SCN1R

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 :: 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 :: Behavioral - convulsions or effect on seizure threshold

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

异硫氰酸苄酯安全信息

[ 符号 ]:

GHS07, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302-H312-H315-H319-H332-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) ]:
S26-S36/37/39

[ 危险品运输编码 ]:
2810

[ WGK德国 ]:
3

[ RTECS号 ]:
NX8250000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

异硫氰酸苄酯合成路线

异硫氰酸苄酯上下游产品

异硫氰酸苄酯上游产品

异硫氰酸苄酯下游产品

异硫氰酸苄酯制备

将配糖体用酵母发酵，分解，然后用水蒸气蒸馏得到。或以苄氯与硫氰化钾反应生成。将配糖体原料加入酵母发酵分解，得到的硫氰酸苄酯。经加热，超过120℃即转化为硫氰酸苄酯、葡萄糖和硫酸氢钾。

异硫氰酸苄酯文献

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...

Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Curr. Drug Metab. 6 , 413-54, (2005)

The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive)...

Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.

J. Med. Chem. 53 , 5085-107, (2010)

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