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Merck
CN

253944

Propyl isothiocyanate

98%

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About This Item

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

Key Documents

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Product Name

Propyl isothiocyanate, 98%

InChI key

KKASGUHLXWAKEZ-UHFFFAOYSA-N

InChI

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

SMILES string

CCCN=C=S

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

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.

General description

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

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

5.0 °F - closed cup

flash_point_c

-15 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCD9519
MKBK0022V
04508KJ
01811DE
19926CF

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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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