Articles:
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(1R,2S,2'S,4R)-2'-isopropyl-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane]
Notes:
None found
| Fragrance Demo Formulas | ||
| CAS Number: | 188199-50-0 |  3D/inchi
|
| Nikkaji Web: | J1.665.076E | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 252.39756000 | |
| Formula: | C16 H28 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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 |
| 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: | 258.19 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 214.00 °F. TCC ( 101.20 °C. ) (est) |
| logP (o/w): | 4.370 (est) |
| Soluble in: | |
| water, 1.343 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for belembre flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 188199-50-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11043252 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (1'R,2S,4S,4'R)-4',7',7'-trimethyl-2-propan-2-ylspiro[1,3-dioxane-4,3'-bicyclo[2.2.1]heptane] | |
| Chemidplus: | 0188199500 |
References:
| (1'R,2S,4S,4'R)-4',7',7'-trimethyl-2-propan-2-ylspiro[1,3-dioxane-4,3'-bicyclo[2.2.1]heptane] | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11043252 |
| Pubchem (sid): | 135298302 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (1R,2S,2'S,4R)-2'-iso | propyl-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane] |
| spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane],1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)- | |
| (1'R,2S,4S,4'R)-4',7',7'- | trimethyl-2-propan-2-ylspiro[1,3-dioxane-4,3'-bicyclo[2.2.1]heptane] |