acetyl isothiocyanate

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ethanoyl isothiocyanate

CAS: 13250-46-9 C3 H3 N O S MW: 101.12811000
All Ingredients Aromatic Ingredients CAS Numbers Found in Nature IUPAC Names M.W Index

Identification

Nameacetyl isothiocyanate
IUPACacetyl isothiocyanate
CAS Number13250-46-9
FDA UNIISearch
Molecular FormulaC3 H3 N O S
Molecular Weight101.12811000
MDL NumberMFCD01862831
Nikkaji NumberJ81.582I
Beilstein635801
XlogP31.50 (est)

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Soluble in water, 1.93e+005 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for acetyl isothiocyanate usage levels up tonot for fragrance use.
Recommendation for acetyl isothiocyanate flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

None Found

Natural Occurrence

sinapis alba seed

Synonyms

ethanecarbonyl isothiocyanate ethanoyl isothiocyanate PubMed: A novel 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanal oxime compound is a potent Transient Receptor Potential Ankyrin 1 and Vanilloid 1 (TRPA1 and V1) receptor antagonist. PubMed: Species differences and molecular determinant of TRPA1 cold sensitivity. PubMed: Stimulation of the chemosensory TRPA1 cation channel by volatile toxic substances promotes cell survival of small cell lung cancer cells. PubMed: Acaricidal constituents isolated from Sinapis alba L. seeds and structure-activity relationships. PubMed: Ab initio study of the barriers to methyl torsion and torsional frequencies of acetyl molecules. PubMed: C-terminal sequence analysis of peptides using triphenylgermanyl isothiocyanate. PubMed: Chemical carboxyl-terminal sequence analysis of peptides and proteins using tribenzylsilyl isothiocyanate. PubMed: Chemical carboxy-terminal sequence analysis of peptides using acetyl isothiocyanate.