1-(3,3-dimethylcyclohexyl)ethanone (Click)
IUPAC Name: 1-(3,3-dimethylcyclohexyl)ethanone
Std.InChI: InChI=1S/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3
InChI: InChI=1/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3
Std.InChIKey: DXIWBWIDAYBUDF-UHFFFAOYSA-N
InChIKey: DXIWBWIDAYBUDF-UHFFFAOYAG
SMILES: CC(=O)C1CCCC(C1)(C)C
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| CAS Number: | 25304-14-7 |
| ECHA EC Number: | 246-799-1 |
| XlogP3-AA: | 2.70 (est) |
| Molecular Weight: | 154.25266000 |
| Formula: | C10 H18 O |
| NMR Predictor: | Predict |
| Category: | flavor and fragrance agents |
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| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89400 to 0.90200 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.439 to 7.506
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| Specific Gravity: | 8.95000 to 9.03000 @ 20.00 °C.
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| Pounds per Gallon - est.: | 74.560 to 75.226
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| Refractive Index: | 1.45000 to 1.45500 @ 20.00 °C.
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| Boiling Point: | 202.80 °C. @ 760.00 mm Hg (est)
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| Vapor Pressure: | 0.287000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 158.00 °F. TCC ( 70.00 °C. )
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| logP (o/w): | 2.847 (est) |
Organoleptic Properties:
| Odor Type: | thujonic |
| Odor Strength: | medium |
Odor Description: at 100.00 %. | woody herbal cedarleaf thujone minty Luebke, William tgsc, (1989) |
| Odor sample from: | International Flavors & Fragrances Inc. |
| Substantivity: | 12 Hour(s) |
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Cosmetic Information:
Suppliers:
| Azelis |
| HERBAC
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| Creatingperfume.com |
| HERBAC (IFF)
Odor: Powerful, woody, herbal, cedar leaf, thujone complex |
| Ernesto Ventós |
| HERBAC IFF
Odor: HERBAL, WOODY, MINTY, CAMPHORACEOUS |
| IFF |
| HERBAC
Odor: Powerful, woody, herbal, cedar leaf, thujone complex. Camphor, earthy, |
| Indukern F&F |
| HERBAC
Odor: WOODY, HERBAL, THUJONIC, CAMPHORATED |
| Kun Shan P&A |
| Herbac
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| Penta International |
| 3,3-DIMETHYLCYCLOHEXYLMETHYL KETONE
| | Taytonn |
| Herbac
Odor: Woody, Minty, Herbal/ Herbaceous, Eucalyptus, Earthy, Cedar Leaf, Camphor/ Camphoraceous, Wet |
| The John D. Walsh Company |
| Herbac
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| Zhejiang Taizhou TU-POLY |
| Herbac
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Safety Information:
| European information : |
| Most important hazard(s): | | Xi - Irritant |
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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 37/39 - Wear suitable gloves and eye/face protection.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: | | |
Not determined
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| Dermal Toxicity: | | |
Not determined
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| Inhalation Toxicity: | | |
Not determined
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Safety in Use Information:
| Category: | flavor and fragrance agents |
| Recommendation for woody ketone usage levels up to: | | | 10.0000 % in the fragrance concentrate.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| 3,3- | dimethyl cyclohexyl methyl ketone | | 1-(3,3- | dimethyl cyclohexyl) ethan-1-one | | 1-(3,3- | dimethyl-1-cyclohexyl)-1-ethanone | | 3,3- | dimethylcyclohexyl methyl ketone | | 1-(3,3- | dimethylcyclohexyl)ethan-1-one | | 1-(3,3- | dimethylcyclohexyl)ethanone | | 3,3- | dimethylcyclohexylmethyl ketone | | | erbach | | | ethanone, 1-(3,3-dimethylcyclohexyl)- | | | herbac | | | woody ketone |
Articles:
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| Soluble in: |
| | alcohol | | | water, 239.8 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Stability: |
| | acid cleaner | | | alcoholic lotion | | | antiperspirant | | | deo stick | | | detergent | | | fabric softener | | | hard surface cleaner | | | shampoo | | | soap |
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