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Merck
CN

W401404

异硫氰酸2-苯乙酯

FG

别名:

异硫氰酸苯乙酯, 2-苯基乙基异硫代氰酸酯

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关于此项目

线性分子式:
C6H5CH2CH2NCS
化学文摘社编号:
分子量:
163.24
Flavis number:
12.193
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
4014
NACRES:
NA.21
EC Number:
218-855-5
MDL number:
Beilstein/REAXYS Number:
2084162
Organoleptic:
green; sulfurous
Grade:
FG
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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产品名称

异硫氰酸2-苯乙酯, FG

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

SMILES string

S=C=NCCc1ccccc1

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

refractive index

n20/D 1.5888 (lit.)

bp

139-140 °C/11 mmHg (lit.)

density

1.094 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

green; sulfurous

Quality Level

Gene Information

human ... CYP1A2(1544)

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General description

2-苯乙基异硫氰酸盐 (2-PE ITC) 是一种生物活性异硫氰酸盐,主要存在于芸薹属蔬菜中。它是通过酶促水解2-苯基乙基芥子油酸酯而制得的。2-PE ITC 是芸薹属根组织对Pratylenchus neglectus Filipjev(一种根部病变线虫)具有杀线虫作用的主要化合物。这一能力使其有望成为开发土壤熏蒸剂的候选产品。

pictograms

Health hazardExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Reduced susceptibility of Brassica napus to Pratylenchus neglectus in plants with elevated root levels of 2-phenylethyl glucosinolate.
Potter MJ, et al.
Journal of Nematology, 31(3), 291-291 (1999)
Evaluation of Antibacterial Activity of 3?Butenyl, 4?Pentenyl, 2?Phenylethyl, and Benzyl Isothiocyanate in Brassica Vegetables
Jang M, et al.
Journal of Food Science, 75(7) (2010)
Antibacterial activity and synergistic effect between watercress extracts, 2?phenylethyl isothiocyanate and antibiotics against 11 isolates of Escherichia coli from clinical and animal source.
Freitas E, et al.
Letters in Applied Microbiology, 57(4), 266-273 (2013)
In vitro inhibition of soil microorganisms by 2?phenylethyl isothiocyanate.
Smith BJ & Kirkegaard JA
Plant Pathology, 51(5), 585-593 (2002)
Long G Wang et al.
International journal of oncology, 37(3), 533-539 (2010-07-29)
Prostate cancer is one of the most commonly diagnosed cancers in men. The number of affected men is expected to rapidly increase as the population of males over the age of 50 grows worldwide. For patients who are not cured

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