Articles:
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2,3 or 10-mercaptopinane
Notes:
Used as a food additive [EAFUS]
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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): 23832-18-0 2-,3-,10-Mercaptopinane, mixture of isomers
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Charkit Chemical Corporation The Specialty Chemical Specialists Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you. about: Since 1982, Charkit has been committed to expanding the markets we serve as our roster of products and services continues to grow with us. Our substantial portfolio of personal care ingredients now include a wide array of luxury and exotic components to compliment the key products we have always offered. We have expanded our offerings to the nutraceutical, industrial, and resin markets with a growing roster of versatile and unique ingredients. We continue to lead the way in our traditional markets such as Metal and Water Treatment, Imaging, Flavor & Fragrance, Aroma and Food. Our Pharmaceutical offerings continue to expand, still anchored by the Boronic Derivatives that meet the demands of Suzuki coupling reactions. Please contact us to learn how we can help you reach your goals. Email: Sales Voice: 203-299-3220 Fax: 203-299-1355 Facebook Twitter Linkedin Latest News Events Blog Products List: View Product(s): MERCAPTOPINANE, 2,(3),(10)- M0150 FEMA 3503
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FRUTAROM USA INC, Flavor & Specialty Ingredients Your preferred partner for flavour and fragrance success. Our broad and diverse product portfolio is designed to provide and cater for every flavor and taste profile required by our customer base and incorporates historic, and iconic, market leading products. Email: Info US Email: Info- USA Email: Sales Voice: +44 (0) 1429 863 222 CBD Offering Products List: View Product(s): 441M015000 2-(3)-(10)-MERCAPTOPINANE KOSHER
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 13-15800 2,3,10-MERCAPTOPINANE
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W350303 2-,3-,10-Mercaptopinane, mixture of isomers, FG SDS
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W1804 2,3-or 10-Mercaptopinane
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): 2,(3),(10)-Mercaptopinane
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| Fragrance Demo Formulas Flavor Demo Formulas | ||
| CAS Number: | 23832-18-0 |  3D/inchi
|
| % from: | 31.00% | |
| ECHA EINECS - REACH Pre-Reg: | 245-900-6 | |
| FDA UNII: | X21X7U473C | |
| Nikkaji Web: | J50.533A | |
| Beilstein Number: | 4952941 | |
| MDL: | MFCD00213571 | |
| CoE Number: | 2332 | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 170.31846000 | |
| Formula: | C10 H18 S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| Also(can) Contains: | 10-mercaptopinane 54.00% | |
| 3-mercaptopinane 10.00% | ||
| EFSA/JECFA Comments: | Mixture of isomers (about 54 % of 10-isomer, about 31 % of 2-isomer, about 10 % of 3-isomer). (JECFA) | |
Category: flavor and fragrance 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: | 520 2,3 or 10-mercaptopinane |
| DG SANTE Food Flavourings: | 12.035 2-,3- and 10-mercaptopinane |
| FEMA Number: | 3503 2,3 or 10-mercaptopinane |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 977136-05-2 ; 2,3 OR 10-MERCAPTOPINANE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98000 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.155 to 8.221 |
| Refractive Index: | 1.51100 to 1.51700 @ 20.00 °C. |
| Boiling Point: | 142.00 °C. @ 20.00 mm Hg |
| Boiling Point: | 258.00 to 259.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.320000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.8 ( Air = 1 ) |
| Flash Point: | 208.00 °F. TCC ( 97.78 °C. ) |
| logP (o/w): | 4.272 (est) |
| Soluble in: | |
| alcohol | |
| water, 14.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous green tropical terpenic woody berry seedy buchu | |
| Odor Description: at 0.10 % in dipropylene glycol. | sulfury green tropical terpene woody berry seedy buchu |
| sulfurous green tropical terpenic weedy cooling berry seedy buchu | |
| Odor Description: | Sulfureous, green, tropical, terpy and weedy, cooling, berry and seedy, buchu-like Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Flavor Type: sulfurous | |
| sulfurous metallic tropical woody fresh green cooling | |
| Taste Description: | Sulfureous, metallic, tropical, woody, fresh, green, cooling Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
| Sigma-Aldrich | |
| 2-,3-,10-Mercaptopinane, mixture of isomers, FG | |
| Odor Description: | grapefruit; citrus; sulfurous |
| Taste Description: | sulfury metallic tropical woody fresh green cooling |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-,3-,10-Mercaptopinane, mixture of isomers |
| Charkit Chemical |
| MERCAPTOPINANE, 2,(3),(10)- M0150 FEMA 3503 |
| Frutarom |
| 2-(3)-(10)-MERCAPTOPINANE
KOSHER Flavor: Sulfurous, Terpenic, Woody, Green, Seedy |
| CBD Offering |
| IFF |
| 2-(3)-(10)-MERCAPTOPINANE
KOSHER Flavor: Sulfurous, Terpenic, Woody, Green, Seedy |
| Penta International |
| 2,3,10-MERCAPTOPINANE |
| Sigma-Aldrich |
| 2-,3-,10-Mercaptopinane, mixture of isomers, FG
Odor: grapefruit; citrus; sulfurous |
| Certified Food Grade Products |
| Synerzine |
| 2,3-or 10-Mercaptopinane |
| Taytonn ASCC |
| 2,(3),(10)-Mercaptopinane
Odor: Woody, Green, Terpinic |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
|
intravenous-mouse LD50 100 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00420 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for mango thiol usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.03000 | |
| beverages(nonalcoholic): | - | 0.03000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.03000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.02000 | |
| fruit ices: | - | 0.02000 | |
| gelatins / puddings: | - | 0.01000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf | |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 23832-18-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 90984 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2,7,7-trimethylbicyclo[3.1.1]heptane-2-thiol | |
| Chemidplus: | 0023832180 |
| RTECS: | TK4575000 for cas# 23832-18-0 |
References:
| 2,7,7-trimethylbicyclo[3.1.1]heptane-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 23832-18-0 |
| Pubchem (cid): | 90984 |
| Pubchem (sid): | 135047579 |
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 |
| HMDB (The Human Metabolome Database): | HMDB32377 |
| FooDB: | FDB009794 |
| ChemSpider: | View |
| FAO: | 2, 3, and 10-Mercaptopinane |
Potential Blenders and core components note
Potential Uses:
| currant black currant | FR | |
| fruit tropical fruit | FL | |
| guava | FR | |
| mango | FR | |
| peach | FR | |
| raspberry | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| bicyclo[3.1.1]heptane-2-thiol, 2,6,6-trimethyl- | |
| 2- | mercaptopinane |
| 2-,3- and 10- | mercaptopinane |
| 2-,3-,10- | mercaptopinane |
| 2,(3),(10)- | mercaptopinane |
| 2,3 or 10- | mercaptopinane |
| 2,3-or 10- | mercaptopinane |
| 2,3,10- | mercaptopinane |
| 2,3(10)- | mercaptopinane |
| pinane thiol | |
| 2- | pinane thiol |
| pinane, 2-mercapto- | |
| 2- | pinanethiol |
| pinanyl mercaptan | |
| pinanylmercaptan | |
| 2,6,6- | trimethyl bicyclo(3.1.1)heptane-2-thiol |
| 2,6,6- | trimethylbicyclo(3.1.1)heptane-2-thiol |
| 2,6,6- | trimethylbicyclo[3.1.1]heptane-2-thiol |
| 2,7,7- | trimethylbicyclo[3.1.1]heptane-2-thiol |