| Name: | 1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one |
| CAS Number: | 87641-23-4 |  3D/inchi
|
| FDA UNII: | Search |
| XlogP3-AA: | 4.30 (est) |
| Molecular Weight: | 222.37142000 |
| Formula: | C15 H26 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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.
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| Refractive Index: | 1.48600 to 1.48900 @ 20.00 °C.
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| Boiling Point: | 82.00 to 89.00 °C. @ 0.67 mm Hg
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| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. )
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| 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 sample from: Henkel Corporation |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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.
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| |
| 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
Henkel Corporation
|
| Dermal Toxicity: |
|
Not determined
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| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| 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:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
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