Articles:
| None found yet. |
atrinon
Notes:
None found
| CAS Number: | 87641-23-4 |  3D/inchi
|
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 222.37142000 | |
| Formula: | C15 H26 O | |
| 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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95000 @ 25.00 °C. |
| Refractive Index: | 1.48600 to 1.48900 @ 20.00 °C. |
| Boiling Point: | 82.00 to 89.00 °C. @ 0.67 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 5.017 (est) |
| Soluble in: | |
| alcohol | |
| water, 6.521 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| stable in most media | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| Substantivity: | 80 hour(s) at 100.00 % |
| dry woody tobacco leafy thujonic | |
| Odor Description: at 100.00 %. | dry woody tobacco-leaf thuja Luebke, William tgsc, (1985) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 36 - Wear suitable protective clothing. | |
| 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: | |
|
oral-mouse LD50 750 mg/kg Luebke, William tgsc, (1985) | |
| 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 tobacco nonene usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Recommendation for tobacco nonene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 87641-23-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3086255 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one | |
| Chemidplus: | 0087641234 |
References:
| 1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3086255 |
| Pubchem (sid): | 135233602 |
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 |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| cedar | FR | |
| herbal | FR | |
| tobacco | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 4(5)- | acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene |
| 4(5)- | acetyl-7,7,9(7.9.9)-trimethyl bicyclo(4.3.0)non-1-ene |
| atrinon | |
| 1-(2,3,4,5,6,7- | hexahydro-1,1,3-trimethyl-1H-inden-5-yl) ethanone |
| 1-[(3R,3aS,5R,7aR)-1,1,3- | trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one |