Articles:
| J-Stage: | Glycogen Synthase Kinase-3ß Inhibition of 6-(Methylsulfinyl)hexyl Isothiocyanate Derived from Wasabi (Wasabia japonica Matsum) |
hexane, 1-isothiocyanato-6-(methylsulfinyl)-
Notes:
Mustard oil from dame's violet (Hesperis matronalis). Flavour component of Japanese horseradish (Wasabia japonica)
| CAS Number: | 4430-35-7 |  3D/inchi
|
| FDA UNII: | 8RUP6Q3JBB | |
| Nikkaji Web: | J385.660G | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 205.34375000 | |
| Formula: | C8 H15 N O S2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 385.00 to 386.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 369.00 °F. TCC ( 187.20 °C. ) (est) |
| logP (o/w): | 0.959 (est) |
| Soluble in: | |
| water, 1450 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 6-Methylsulfinylhexyl Isothiocyanate |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 6-(methyl thio) hexyl isothiocyanate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 6-(methyl thio) hexyl isothiocyanate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 9815648 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-isothiocyanato-6-(methylsulfinyl)hexane | |
| Chemidplus: | C111984000 |
References:
| 1-isothiocyanato-6-(methylsulfinyl)hexane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 9815648 |
| Pubchem (sid): | 135272443 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB38461 |
| FooDB: | FDB017820 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| hesperis matronalis Search Trop Picture | |
| wasabi Search Trop Picture |
Synonyms:
| hexane, 1-isothiocyanato-6-(methylsulfinyl)- | |
| 6-( | methyl sulfinyl) hexyl isothiocyanate |
| 6-( | methylsulfinyl) hexyl isothiocyanate |
| 6-( | methylsulfinyl)hexyl isothiocyanate |
| 6- | methylsulfinylhexyl isothiocyanate |
| 6-( | methylthio)hexyl isothiocyanate |
| 1-iso | thiocyanato-6-(methylsulfinyl)-hexane |
| 1-iso | thiocyanato-6-(methylsulfinyl)hexane |
| 6-iso | thiocyanatohexyl methyl sulfoxide |
| iso | thiocyanic acid 6-methylhexylsulfinyl ester |