W442800

Benzyl isothiocyanate

98%, FG

• Synonym(s): BITC, Benzyl mustard oil, Isothiocyanotaomethylbenzene
• Linear Formula: C₆H₅CH₂NCS
• CAS Number: 622-78-6
• Molecular Weight: 149.21
• FEMA Number: 4428
• Beilstein/REAXYS Number: 386135
• EC Number: 210-753-9
• MDL number: MFCD00004819
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830717
• Flavis number: 12.102
• NACRES: NA.21
• organoleptic: medicinal
• grade: FG
• biological source: synthetic
• food allergen: no known allergens

Properties

• 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

Description

General description

Benzyl isothiocyanate occurs naturally in papaya seeds, moringa, and cruciferous vegetables.[1] It shows potent anti-proliferative activity against human pancreatic cancer cells.[2]

Application

Possible applications: Mustard, horseradish, vegetative nuances for cabbage, radish and watercress, tropical papaya mouthfeel effects.[3]

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.[3]

Other Notes

Natural occurrence: watercress, nasturtium, papaya and endive[3]

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 222.8 °F
• flash_point_c: 106 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter