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W442800

Sigma-Aldrich

Benzyl isothiocyanate

98%, FG

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Synonym(s):
BITC, Benzyl mustard oil, Isothiocyanotaomethylbenzene
Linear Formula:
C6H5CH2NCS
CAS Number:
Molecular Weight:
149.21
FEMA Number:
4428
Beilstein:
386135
EC Number:
MDL number:
PubChem Substance ID:
Flavis number:
12.102
NACRES:
NA.21

biological source

synthetic

grade

FG

reg. compliance

EU Regulation 1334/2008 & 872/2012

Assay

98%

refractive index

n20/D 1.601 (lit.)

bp

242-243 °C (lit.)

density

1.125 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

medicinal

storage temp.

2-8°C

SMILES string

S=C=NCc1ccccc1

InChI

1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

InChI key

MDKCFLQDBWCQCV-UHFFFAOYSA-N

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General description

Benzyl isothiocyanate occurs naturally in papaya seeds, moringa, and cruciferous vegetables. It shows potent anti-proliferative activity against human pancreatic cancer cells.

Application

Possible applications: Mustard, horseradish, vegetative nuances for cabbage, radish and watercress, tropical papaya mouthfeel effects.

Biochem/physiol Actions

Odor at 1.0%: Vegetative cabbage and radishlike, green with a musty sulfurous earthiness reminiscent of mustard greens.
Taste at 0.5ppm: Green vegetative cabbage, kimchi, radish and wasabi-like with green leafy nuances and imparting a strong trigeminal tongue numbing and raspy sensation.

Other Notes

Natural occurrence: watercress, nasturtium, papaya and endive

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(C)

106 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Benzyl isothiocyanate of papaya fruit.
Tang CS.
Phytochemistry, 10(1), 117-121 (1971)
Sanjay K Srivastava et al.
Carcinogenesis, 25(9), 1701-1709 (2004-05-01)
Benzyl isothiocyanate (BITC), a cruciferous vegetable-derived compound, has been shown to inhibit chemically induced cancer in animal models. Moreover, epidemiological studies have provided compelling evidence to suggest that cruciferous vegetables may be protective against cancer risk. Here, we report that
Ji-Fan Lin et al.
Carcinogenesis, 34(2), 406-414 (2012-11-23)
Benzyl isothiocyanate (BITC) is a dietary chemopreventive agent that inhibits the growth of various human cancer cells by causing apoptotic cell death. In this study, we demonstrate that BITC not only induces apoptosis but also induces autophagy in human hormone-sensitive
Wei-Ju Lee et al.
Journal of the science of food and agriculture, 91(13), 2348-2354 (2011-05-19)
In general, about 300 g kg(-1) of the weight of papaya fruits appears as waste materials during processing, including a considerable amount of papaya seeds. To make a more efficient use of papaya, it is worth investigating the utilization of
Anuradha Sehrawat et al.
Cancer prevention research (Philadelphia, Pa.), 4(7), 1107-1117 (2011-04-06)
We showed previously that cruciferous vegetable constituent benzyl isothiocyanate (BITC) inhibits growth of cultured and xenografted human breast cancer cells and suppresses mammary cancer development in a transgenic mouse model. We now show, for the first time, that BITC inhibits

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