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Methyl isothiocyanate, 97%

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Methyl isothiocyanate, 97% chemical structure
CAS number556-61-6
FormulaC2H3NS
Molar mass73.12 g/mol
Physical formLiquid
HS code29309099
UN numberUN 2477
Purity97%
InChIKeyLGDSHSYDSCRFAB-UHFFFAOYSA-N
IUPAC namemethylimino(sulfanylidene)methane

About Methyl isothiocyanate, 97%

Methyl isothiocyanate, 97% sits in our flavour & Fragrance Chemicals section and ships worldwide from stock or short lead time. For your records (97%), the material is defined by CAS 556-61-6, formula C2H3NS and molar mass 73.12 g/mol. Typical appearance is white to light yellow solid or liquid.

Use cases we see most often

  • Flavour formulation
  • Fragrance compounding
  • Aroma research
  • Agrochemical formulations

Safe handling

Physical constants on file: melting point 34 °C and density 1.069 g/cm3 at 25 °C. Classified under GHS with signal word Danger and hazard statements H301, H314, H317 and H331. Read the SDS before first use. For transport it ships as UN UN 2477.

Order it in 500 g and 1 kg packs or ask for a bulk quotation. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Flavour formulation
  • Fragrance compounding
  • Aroma research
  • Agrochemical formulations

Applications

Specifications and identifiers

Specifications of Methyl isothiocyanate, 97%
Product nameMethyl isothiocyanate, 97%
Catalogue numberZX-018331
CAS number556-61-6
IUPAC namemethylimino(sulfanylidene)methane
Molecular formulaC2H3NS
Molar mass73.12 g/mol
Exact mass72.9986
Purity / assay97%
Physical formLiquid
AppearanceWhite to light yellow solid or liquid
Melting point34 °C
Density1.069 g/cm3 at 25 °C
XLogP30.9
H-bond donors / acceptors0 / 2
Topological polar surface area44.5 Ų
HS code29309099
UN numberUN 2477
InChIKeyLGDSHSYDSCRFAB-UHFFFAOYSA-N
SMILESCN=C=S
PubChem CID11167
SynonymsIsothiocyanatomethane, Methyl mustard, Methane, isothiocyanato-, Trapexide, methylisothiocyanate, Morton EP-161E, Vorlex (Nor-Am), Trapex-40, Isothiocyanic acid, methyl ester, Methyl-isothiocyanat, Isotiocianato di metile, Isothiocyanate de methyle

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS05 Corrosive
Corrosive
GHS06 Acute toxicity
Acute toxicity
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Danger

  • H301Toxic if swallowed
  • H314Causes severe skin burns and eye damage
  • H317May cause an allergic skin reaction
  • H331Toxic if inhaled
  • H400Very toxic to aquatic life
  • H410Very toxic to aquatic life with long lasting effects

Precautionary statements P260, P261, P264, P270, P271, P272, P273, P280, P301 + P316, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P304 + P340, P305 + P354 + P338, P316, P321, P330, P333 + P317, P362 + P364, P363, P391, P403 + P233, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Methyl isothiocyanate, 97%
500 gQuoted on request
1 kgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Methyl isothiocyanate, 97%

Which CAS number identifies Methyl isothiocyanate, 97%?
Methyl isothiocyanate, 97% is registered under CAS 556-61-6. You may also see it listed as Isothiocyanatomethane, Methyl mustard, Methane, isothiocyanato-. Our catalogue number for this item is ZX-018331.
What are the formula and molar mass of Methyl isothiocyanate, 97%?
For Methyl isothiocyanate, 97%, its formula is C2H3NS and its molar mass is 73.12 g/mol. The systematic (IUPAC) name is methylimino(sulfanylidene)methane. InChIKey LGDSHSYDSCRFAB-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Methyl isothiocyanate, 97%?
This listing is 97% purity. Standard packs are 500 g, 1 kg. Larger quantities and custom packing can be quoted on request.
Which documents come with Methyl isothiocyanate, 97%?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Methyl isothiocyanate, 97% to my country?
Yes. Because Methyl isothiocyanate, 97% is classed as hazardous (UN 2477), it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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