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W442600

Sigma-Aldrich

Methyl isothiocyanate

97%

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About This Item

Linear Formula:
CH3NCS
CAS Number:
556-61-6
Molecular Weight:
73.12
FEMA Number:
4426
Beilstein/REAXYS Number:
605319
EC Number:
209-132-5
MDL number:
MFCD00004818
UNSPSC Code:
12164502
PubChem Substance ID:
329830716

biological source

synthetic

vapor pressure

21 mmHg ( 20 °C)

assay

97%

bp

117-118 °C (lit.)

mp

30-34 °C (lit.)
34-36 °C

density

1.069 g/cm3 at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

pungent

SMILES string

CN=C=S

InChI

1S/C2H3NS/c1-3-2-4/h1H3

InChI key

LGDSHSYDSCRFAB-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

86.0 °F - closed cup

flash_point_c

30 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD1869
MKBB7434

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Michael L Dourson et al.
Regulatory toxicology and pharmacology : RTP, 58(2), 181-188 (2010-04-22)
The preplant fumigants, metam-sodium, metam-potassium, and dazomet undergo decomposition to the biocide methyl isothiocyanate (MITC) in moist soils. Since MITC vapor can migrate from its site of application, we developed an estimate of health protective concentrations for airborne exposures to
Y Zhang et al.
Chemosphere, 68(3), 445-454 (2007-02-10)
The environmental fate of fumigants methyl isothiocyanate (MITC) and chloropicrin (CP) is of great concern for potential air and groundwater contamination while retaining sufficient concentrations for pest control efficacy. The emission, gas phase distribution, leaching, and persistence of MITC and
Catherine R Simpson et al.
Pest management science, 66(6), 686-692 (2010-03-17)
Metam-sodium (MS, sodium methyldithiocarbamate) has been identified as a promising alternative chemical to replace methyl bromide (MeBr) in soil preplant fumigation. One degradation product of MS in soil is the volatile gas methyl isothiocyanate (MITC) which controls soilborne pests. Inconsistent
Methyl isothiocyanate in wine.
C Rostron
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 30(9), 821-823 (1992-09-01)
William S Cain et al.
Regulatory toxicology and pharmacology : RTP, 58(2), 173-180 (2010-07-17)
An unpublished laboratory study by Russell and Rush (1996) showed that human subjects sense the presence of methyl isothiocyanate (MITC) via the eyes at concentrations as low as hundreds of ppb in air, with dependence upon duration of exposure. The
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