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W203408

Allyl isothiocyanate

≥95%, FCC

Synonym(s):

AITC, Oil of mustard

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About This Item

Linear Formula:
CH2=CHCH2NCS
CAS Number:
57-06-7
Molecular Weight:
99.15
FEMA Number:
2034
Council of Europe no.:
2110
UNSPSC Code:
12164502
PubChem Substance ID:
24900811
Flavis number:
12.025
EC Number:
200-309-2
NACRES:
NA.21
MDL number:
MFCD00004822
Beilstein/REAXYS Number:
773748
Organoleptic:
horseradish; pungent
Grade:
Halal, Kosher
Biological source:
synthetic
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

300, 400

grade

Halal, Kosher

reg. compliance

FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥95%

refractive index

n20/D 1.529 (lit.)

bp

150 °C (lit.)

mp

−80 °C (lit.)

density

1.013 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

horseradish; pungent

storage temp.

2-8°C

SMILES string

C=CCN=C=S

InChI

1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

InChI key

ZOJBYZNEUISWFT-UHFFFAOYSA-N

General description

Allyl isothiocyanate is mainly found in Brassica species such as mustard, cabbage, and broccoli. It is formed by the degradation of the glucosinolate, sinigrin.

Biochem/physiol Actions

Naturally occurring constituent of cruciferous vegetables.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

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Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

113.0 °F - closed cup

flash_point_c

45 °C - closed cup

ppe

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

W203408-10KG-K:4.54817339419E12 + W203408-1KG-K:4.548173394206E12 + W203408-500G-K:4.548173394213E12

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