| Fragrance Demo Formulas |
4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one (Click)
IUPAC Name: 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
Std.InChI: InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3
InChI: InChI=1/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3
Std.InChIKey: YLNYLLVKHRZLGO-UHFFFAOYSA-N
InChIKey: YLNYLLVKHRZLGO-UHFFFAOYAG
SMILES: CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C
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| CAS Number: | 36306-87-3 |
| ECHA EC Number: | 252-961-2 |
| Beilstein Number: | 2258311 |
| XlogP3-AA: | 3.10 (est) |
| Molecular Weight: | 224.34368000 |
| Formula: | C14 H24 O2 |
| NMR Predictor: | Predict |
| Category: | 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 to pale yellow clear liquid (est) |
| Assay: | 80.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Boiling Point: | 286.10 °C. @ 760.00 mm Hg (est)
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| Vapor Pressure: | 0.003000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 261.00 °F. TCC ( 127.22 °C. )
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| logP (o/w): | 4.050 (est) |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
Odor Description: at 100.00 %. | woody old wood amber tobacco hot herbal Luebke, William tgsc, (1987) |
| Odor sample from: | Roure Bertrand Dupont Inc. |
| Substantivity: | 96 Hour(s) |
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Cosmetic Information:
Suppliers:
| A.C.S. International |
| Tetrambrone
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| Azelis |
| KEPHALIS
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| CG Herbals |
| Kephalis
Odor: Rich, warm, woody-ambery, tobacco Use: Kephalis is a very versatile and rich product, used as a long lasting heart/basic note. It blends well with floral notes (jasmine, rose, violet, lavender, etc.) as well as sophisticated amber, woody-aldehydic, tobacco and masculine creations. |
| Creatingperfume.com |
| Kephalis (Givaudan)
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| Ernesto Ventós |
| KEPHALIS
Odor: FLORAL, AMBER |
| Givaudan |
| Kephalis
Odor: Rich, Warm, Woody, Ambery, Tobacco Use: Kephalis is a very versatile and rich product, used as a long lasting heart/basic note. It blends well with floral notes (jasmine, rose, violet, lavender, etc.) as well as sophisticated amber, woody-aldehydic, tobacco and masculine creations. |
| Indukern F&F |
| KEPHALIS
Odor: AMBER, WOODY, WARM, TOBACCO |
| Lansdowne Chemicals |
| Kephalan
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| Lluch Essence |
| KEPHALIS
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| Moellhausen |
| KEPHALIS
Nature-identical Odor: honey, amberwoody note |
| Organica Aromatics |
| KEPHALOR
Min 80% |
| PCW France |
| Kephalis
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| Penta International |
| KEPHALIS
| | PerfumersWorld |
| Kephalis
Odor: woody herbal character somewhat reminiscent of honey Use: Blends-well-with - +iso-E-Super |
| The Perfumers Apprentice |
| Kephalis
Odor: Rich, Warm, Woody-Ambery, Tobacco Use: blends well with floral notes (jasmine, rose, violet, lavender, etc.) as well as sophisticated amber, woody-aldehydic and tobacco |
| Vigon International |
| Kephalis
Odor: Rich, Warm, Woody, Ambery, Tobacco |
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 |
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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. |
| Human Experience: |
| | 10 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | | |
oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.
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| Dermal Toxicity: | | |
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.
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| Inhalation Toxicity: | | |
Not determined
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Safety in Use Information:
| Category: | fragrance agents |
| Recommendation for woody cyclohexanone usage levels up to: | | | 8.0000 % in the fragrance concentrate.
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| Recommendation for woody cyclohexanone flavor usage levels up to: | | | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| | cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl- | | 4-(1- | ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one | | 4-(1- | ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone | | 4-(1- | ethoxyvinyl)-3,3,5,5-tetramethyl cyclohexanone | | 4-(1- | ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone | | 3,3,5,5- | etramethyl-4-ethoxyvinylcyclohexanone | | | kephalan | | | kephalis | | | kephalor | | | tetrambrone | | 3,3,5,5- | tetramethyl-4-(1-ethoxyvinyl) cyclohexanone | | 3,3,5,5- | tetramethyl-4-(1-ethoxyvinyl)-1-cyclohexanone | | 3,3,5,5- | tetramethyl-4-(1-ethoxyvinyl)cyclohexanone | | 3,3,5,5- | tetramethyl-4-ethoxyvinyl cyclohexanone | | 3,3,5,5- | tetramethyl-4-ethoxyvinylcyclohexanone | | | woody cyclohexanone |
Articles:
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click on the picture(s) below to interact with the 3D model |
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| Soluble in: |
| | alcohol | | | water, 261 mg/L @ 20 °C (exp) |
| Insoluble in: |
| | water |
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