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: |
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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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