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Safety Information

W331201

Sigma-Aldrich

3-(Methylthio)propyl isothiocyanate

≥98%, FG

Synonym(s):

radish isothiocyanate

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About This Item

Linear Formula:
CH3S(CH2)3NCS
CAS Number:
505-79-3
Molecular Weight:
147.26
FEMA Number:
3312
EC Number:
208-020-3
Council of Europe no.:
2326
MDL number:
MFCD00209521
UNSPSC Code:
12164502
PubChem Substance ID:
24901632
Flavis number:
12.030
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥98%

refractive index

n20/D 1.564 (lit.)

bp

254 °C (lit.)

density

1.102 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

pungent; vegetable; sulfurous

SMILES string

CSCCCN=C=S

InChI

1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3

InChI key

LDKSCZJUIURGMW-UHFFFAOYSA-N

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Application


  • Functional Chitosan-Based Composite Film Incorporated with 3-(Methylthio) Propyl Isothiocyanate/α-Cyclodextrin Inclusion Complex for Chicken Meat Preservation.: This study explores the development of a functional composite film based on chitosan and incorporating 3-(methylthio) propyl isothiocyanate within an α-cyclodextrin inclusion complex. The composite film demonstrates significant antimicrobial properties, making it highly effective for chicken meat preservation, thereby extending the shelf life and maintaining the quality of meat products (Wu et al., 2022).

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

187.9 °F

Flash Point(C)

86.6 °C

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.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W331201-1KG:
W331201-25G-K:4548173315188
W331201-100G:
W331201-VAR-K:
W331201-25G:
W331201-SAMPLE:
W331201-BULK-K:
W331201-SAMPLE-K:
W331201-100G-K:4548173315164
W331201-1KG-K:4548173315171

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP0411
SHBN2689
SHBM8102
SHBM3681
MKBZ5502V

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Yu Liu et al.
Metabolites, 8(4) (2018-12-19)
Plants emit characteristic organic volatile compounds (VOCs) with diverse biological/ecological functions. However, the links between plant species/varieties and their phytochemical emission profiles remain elusive. Here, we developed a direct headspace solid-phase microextraction (HS-SPME) technique and combined with non-targeted gas chromatography‒high-resolution
Jiansheng Wang et al.
Journal of agricultural and food chemistry, 67(45), 12528-12537 (2019-10-22)
Seeds of 32 pure lines and 6 commercial broccoli cultivars were used to investigate variation in glucosinolates and their breakdown products. The aliphatic glucosinolate content was 54.5-218.7 μmol/g fresh weight, accounting for >90% of the total glucosinolates. The major glucosinolates
Béla P Molnár et al.
Frontiers in physiology, 9, 323-323 (2018-04-19)
Insects use sensitive olfactory systems to detect relevant host volatiles and avoid unsuitable hosts in a complex environmental odor landscape. Insects with short lifespans, such as gall midges (Diptera: Cecidomyiidae), are under strong selection pressure to detect and locate suitable

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