Articles:
(3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
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):
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| CAS Number: | 23445-02-5 |  3D/inchi
|
| FDA UNII: | 9C9ZTS2B3U | |
| Nikkaji Web: | J16.596D | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 222.37142000 | |
| Formula: | C15 H26 O | |
| NMR Predictor: | Predict (works with chrome 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: | 2028 cubebol |
| FEMA Number: | 4497 cubebol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 23445-02-5 ; CUBEBOL |
Physical Properties:
| Appearance: | white crystalline solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 64.00 to 65.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 279.00 to 280.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000480 mmHg @ 25.00 °C. (est) |
| Flash Point: | 242.00 °F. TCC ( 116.67 °C. ) |
| logP (o/w): | 4.592 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 3.12 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | spicy minty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol,octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)- |
| Parchem |
| cubebol |
| 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 cubebol usage levels up to: | |||
| not for fragrance use. | |||
| Structure Class: | I | ||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 30.00000 | |
| beverages(nonalcoholic): | 1.00000 | 30.00000 | |
| beverages(alcoholic): | 1.00000 | 30.00000 | |
| breakfast cereal: | 1.00000 | 30.00000 | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 1.00000 | 30.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 20.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | 1.00000 | 20.00000 | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 1.00000 | 20.00000 | |
| jams / jellies: | 1.00000 | 10.00000 | |
| meat products: | - | - | |
| milk products: | 1.00000 | 10.00000 | |
| nut products: | 1.00000 | 10.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 30.00000 | |
| soups: | - | - | |
| sugar substitutes: | 1.00000 | 30.00000 | |
| sweet sauces: | 1.00000 | 30.00000 | |
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 : | 11276107 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol | |
| Chemidplus: | 0023445025 |
References:
| Leffingwell: | Chirality or Article |
| (3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11276107 |
| Pubchem (sid): | 42355570 |
| 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): | Search |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Cubebol |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| cedarwood oil virginia @ 0.10% Data GC Search Trop Picture | |
| cubeb oil @ 15.18% Data GC Search Trop Picture | |
| false cubebs oil Search Trop Picture | |
| geranium rose-scented oil (pelargonium spp.) cuba @ 0.60% Data GC Search Trop Picture | |
| lavandin oil abrialis @ trace% Data GC Search Trop Picture | |
| mandarin oil uruguay @ trace% Data GC Search Trop Picture | |
| mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.20% Data GC Search Trop Picture |
Synonyms:
| cubeb camphor | |
| 1H- | cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol,octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)- |
| (3S,3aR,3bR,4S,7R,7aR)-3,7- | dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol |
| (3S,3aR,3bR, 4S,7R,7aR)- | octahydro-3,7-dimethyl-4-(1-methyl ethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzen-3-ol |
| (-)-(1R,4S,5R,6R,7S,10R)-7-iso | propyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-ol |
| (1R,4S,5R,6R,7S,10R)-7-iso | propyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-ol |