Articles:
| None found yet. Try the PubMed Search. |
bicyclo[3.1.1]heptane-3-thiol, 2,6,6-trimethyl-
Notes:
None found
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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):
-
| CAS Number: | 72361-41-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 276-598-4 | |
| FDA UNII: | QK04RE823W | |
| Nikkaji Web: | J299.095D | |
| CoE Number: | 2332 | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 170.31846000 | |
| Formula: | C10 H18 S | |
| 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: | 520 3-mercaptopinane |
| FEMA Number: | 3503 3-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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 212.00 to 213.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.248000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 164.00 °F. TCC ( 73.33 °C. ) |
| logP (o/w): | 4.427 (est) |
| Soluble in: | |
| alcohol | |
| water, 15.13 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 3-mercaptopinane |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 3-mercaptopinane 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: 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:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 72361-41-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 175039 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2,7,7-trimethylbicyclo[3.1.1]heptane-3-thiol | |
| Chemidplus: | 0072361412 |
References:
| 2,7,7-trimethylbicyclo[3.1.1]heptane-3-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 175039 |
| Pubchem (sid): | 135260329 |
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): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| bicyclo(3.1.1)heptane-3-thiol, 2,6,6-trimethyl- | |
| bicyclo[3.1.1]heptane-3-thiol, 2,6,6-trimethyl- | |
| 2,6,6- | trimethyl bicyclo(3.1.1)heptane-3-thiol |
| 2,6,6- | trimethylbicyclo(3.1.1)heptane-3-thiol |
| 2,6,6- | trimethylbicyclo[3.1.1]heptane-3-thiol |
| 2,7,7- | trimethylbicyclo[3.1.1]heptane-3-thiol |