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Merck
CN

W442600

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
PubChem Substance ID:
329830716
UNSPSC Code:
12164502
EC Number:
209-132-5
Beilstein/REAXYS Number:
605319
MDL number:
MFCD00004818

Key Documents

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InChI

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

InChI key

LGDSHSYDSCRFAB-UHFFFAOYSA-N

SMILES string

CN=C=S

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

Quality Level

300

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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

WGK 3

ppe

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

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD1869
MKBB7434

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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An unpublished laboratory study by Russell and Rush (1996) showed that human subjects sense the presence of methyl isothiocyanate (MITC) via the eyes at concentrations as low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
YongLin Ren et al.
Pest management science, 68(2), 194-201 (2011-07-23)
Methyl bromide is being phased out for use on stored commodities, as it is listed as an ozone-depleting substance, and phosphine is the fumigant widely used on grains. However, phosphine resistance occurs worldwide, and phosphine fumigation requires a long exposure
Yonglin Ren et al.
Journal of economic entomology, 101(2), 623-630 (2008-05-08)
Australian Standard White wheat, Triticum aestivum L. (a marketing grade with mixed grain hardness),with a moisture content of 12.5% was fumigated with a new ethyl formate formulation (95% ethyl formate plus 5% methyl isothiocyanate) identified and developed by Commonwealth Scientific
Katy L Swancutt et al.
Chemosphere, 81(3), 339-344 (2010-08-11)
Methyl isothiocyanate (MITC), a toxic and corrosive skin and respiratory irritant, is a common soil fumigant byproduct which has become an atmospheric, aqueous, and soil contaminant. The work described here examines the degradation and potential removal of MITC from contaminated
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
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