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
|
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 |
|
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 %
|
Food Chemicals Codex Listed: | No |
Boiling Point: | 286.10 °C. @ 760.00 mm Hg (est)
|
Vapor Pressure: | 0.003000 mm/Hg @ 25.00 °C. (est) |
Flash Point: | 261.00 °F. TCC ( 127.22 °C. )
|
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) |
| |
Cosmetic Information:
Suppliers:
A.C.S. International |
Tetrambrone
|
Azelis |
KEPHALIS
|
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)
|
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
|
Lluch Essence |
KEPHALIS
|
Moellhausen |
KEPHALIS
Nature-identical Odor: honey, amberwoody note |
Organica Aromatics |
KEPHALOR
Min 80% |
PCW France |
Kephalis
|
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.
|
|
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. |
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.
|
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.
|
Inhalation Toxicity: | |
Not determined
|
Safety in Use Information:
Category: | fragrance agents |
Recommendation for woody cyclohexanone usage levels up to: | | 8.0000 % in the fragrance concentrate.
|
Recommendation for woody cyclohexanone flavor usage levels up to: | | not for flavor use.
|
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:
|
click on the picture(s) below to interact with the 3D model |
|
Soluble in: |
| alcohol | | water, 261 mg/L @ 20 °C (exp) |
Insoluble in: |
| water |
|