Articles:
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5-(methylthio)pentyl isothiocyante
Notes:
Prod. by Wasabia japonica (Japanese horseradish)
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 4430-42-6 Berteroin, 97%
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 4430-42-6 |  3D/inchi
|
| FDA UNII: | 0L0K74BW6T | |
| Nikkaji Web: | J634.913G | |
| MDL: | MFCD00210791 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 175.31761000 | |
| Formula: | C7 H13 N S2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavoring agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1896 5-(methylthio)pentyl isothiocyante |
| FEMA Number: | 4416 5-(methylthio)pentyl isothiocyante |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 4430-42-6 ; 5-(METHYLTHIO)PENTYL ISOTHIOCYANATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.05500 to 1.06100 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.789 to 8.839 |
| Refractive Index: | 1.54200 to 1.54800 @ 20.00 °C. |
| Boiling Point: | 267.00 to 268.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 131.00 to 133.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.013000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 240.00 °F. TCC ( 115.56 °C. ) |
| logP (o/w): | 2.932 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| ether | |
| water, 79.78 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl isothiocyanate | |
| amyl isothiocyanate | |
| isoamyl isothiocyanate | |
| benzyl isothiocyanate | |
| 3-buten-1-yl isothiocyanate | |
| butyl isothiocyanate | |
| isobutyl isothiocyanate | |
| sec-butyl isothiocyanate | |
| ethyl isothiocyanate | |
| 5-hexen-1-yl isothiocyanate | |
| hexyl isothiocyanate | |
| methyl isothiocyanate | |
| 4-methyl thiobutyl isothiocyanate | |
| 6-methyl thiohexyl isothiocyanate | |
| 4-pentenyl isothiocyanate | |
| 2-phenethyl isothiocyanate | |
| isopropyl isothiocyanate | |
| radish isothiocyanate | |
Organoleptic Properties:
| Odor Type: radish | |
| cabbage radish | |
| Odor Description: at 0.01 % in propylene glycol. | cabbage radish |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Pentane,1-isothiocyanato-5-(methylthio)- |
| BOC Sciences |
| For experimental / research use only. |
| Berteroin, 97% |
| Parchem |
| 5-methyl thiopentyl isothiocyanate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Berteroin |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | flavoring agents | ||
| Recommendation for 5-methyl thiopentyl isothiocyanate usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 10.00000 | |
| beverages(alcoholic): | 1.00000 | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 0.50000 | 5.00000 | |
| chewing gum: | 2.00000 | 20.00000 | |
| condiments / relishes: | 2.00000 | 20.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | 0.50000 | 5.00000 | |
| other grains: | 1.00000 | 5.00000 | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 5.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | 2.00000 | 20.00000 | |
| soups: | 1.00000 | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 : | 206037 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-isothiocyanato-5-methylsulfanylpentane | |
| Chemidplus: | 0004430426 |
References:
| 1-isothiocyanato-5-methylsulfanylpentane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 206037 |
| Pubchem (sid): | 135182120 |
| Flavornet: | 4430-42-6 |
| Pherobase: | View |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB31577 |
| FooDB: | FDB008199 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| fruity | ||
| fruity | ||
| furfuryl acetate | FL/FR | |
| green | ||
| green dioxolane | FR | |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| 1- | penten-3-ol | FL/FR |
| dimethyl sulfide | FL/FR | |
| 2- | methyl 5-(methyl thio) furan | FL/FR |
| 2- | phenethyl isothiocyanate | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| 4- | methyl thiobutyl isothiocyanate | FL |
| 6- | methyl thiohexyl isothiocyanate | FL |
| 4- | pentenyl isothiocyanate | FL |
| 2- | phenethyl isothiocyanate | FL/FR |
| alliaceous | ||
| benzyl mercaptan | FL | |
| cyclopentyl mercaptan | FL | |
| 3- | mercapto-2-pentanone | FL |
| burnt | ||
| methyl phenyl disulfide | FL | |
| estery | ||
| furfuryl acetate | FL/FR | |
| green | ||
| 2- | furyl acetone | FL |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| 1- | penten-3-ol | FL/FR |
| musty | ||
| 2- | methyl 5-(methyl thio) furan | FL/FR |
| onion | ||
| methyl propyl disulfide | FL | |
| sulfurous | ||
| allyl sulfide | FL | |
| dimethyl sulfide | FL/FR | |
| furfuryl methyl sulfide | FL | |
| vegetable | ||
| radish isothiocyanate | FL | |
Potential Uses:
| horseradish | FL | |
| radish | FL | |
| wasabi | FL |
Occurrence (nature, food, other): note
| horseradish Search Trop Picture | |
| radish Search Trop Picture | |
| wasabi Search Trop Picture |
Synonyms:
| berteroin | |
| 5-( | methyl thio) pentyl isothiocyante |
| 5-( | methylthio)pentyl isothiocyante |
| 5- | methylthiopentyl isothiocyanate |
| pentane, 1-isothiocyanato-5-(methylthio)- | |
| pentane,1-isothiocyanato-5-(methylthio)- | |
| 1-iso | thiocyanato-5-(methyl thio) pentane |
| 1-iso | thiocyanato-5-(methylsulfanyl)pentane |
| 1-iso | thiocyanato-5-(methylthio)pentane |
| 1-iso | thiocyanato-5-methylsulfanylpentane |
| 5-iso | thiocyanatopentyl methyl sulfide |
| iso | thiocyanic acid 5-(methylthio)pentyl ester |