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Safety Information

253944

Sigma-Aldrich

Propyl isothiocyanate

98%

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About This Item

Linear Formula:
CH3CH2CH2NCS
CAS Number:
628-30-8
Molecular Weight:
101.17
EC Number:
211-035-8
MDL number:
MFCD00004823
UNSPSC Code:
12352100
PubChem Substance ID:
24855341
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.504 (lit.)

bp

153 °C (lit.)

density

0.978 g/mL at 25 °C (lit.)

functional group

amine
isothiocyanate

SMILES string

CCCN=C=S

InChI

1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

InChI key

KKASGUHLXWAKEZ-UHFFFAOYSA-N

General description

Propyl isothiocyanate has been tested as fumigant against the larvae of a caribbean fruit fly Anastrepha suspense.

Application

Propyl isothiocyanate has been employed as internal standard in the analysis of low-volatility sulphur compounds in wines using solid-phase microextraction and GC.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

5.0 °F - closed cup

Flash Point(C)

-15 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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 1 petroleums
Hazardous rank II
Water insoluble liquid

JAN Code

253944-25G:
253944-5G:
253944-VAR:
253944-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD9519
MKBK0022V
04508KJ
01811DE
16616HU

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Bioassay of three isothiocyanates as fumigants against larvae of a Caribbean fruit fly and the apple maggot.
Carroll JF, et al.
Journal of Economic Entomology, 73(2), 321-323 (1980)
Piman Pocasap et al.
Biomolecules & therapeutics, 27(6), 540-552 (2019-08-14)
To determine the chemopreventive potential of alyssin and iberin, the in vitro anticancer activities and molecular targets of isothiocyanates (ITCs) were measured and compared to sulforaphane in hepatocellular carcinoma cell HepG2. The SR-FTIR spectra observed a similar pattern vis-à-vis the
M Mestres et al.
Journal of chromatography. A, 881(1-2), 583-590 (2000-07-25)
A method for analysing low-volatility sulphur compounds using solid-phase microextraction has been developed. The analytes were extracted directly from the liquid sample using fibres coated with different stationary phases. The best extraction efficiency was obtained with Carboxen-polydimethylsiloxane coating. Ionic strength
Juyoung Lee et al.
Journal of the science of food and agriculture, 95(11), 2244-2251 (2014-10-02)
Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This study was designed to investigate whether these BPs could be broken further

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