| Fragrance Demo Formulas |
(Z)-3,4,5,6,6-pentamethylhept-3-en-2-one (Click)
IUPAC Name: (Z)-3,4,5,6,6-pentamethylhept-3-en-2-one
Std.InChI: InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
InChI: InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
Std.InChIKey: IXIYWQIFBRZMNR-HJWRWDBZSA-N
InChIKey: IXIYWQIFBRZMNR-HJWRWDBZBJ
SMILES: CC(/C(=C(/C)\C(=O)C)/C)C(C)(C)C
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| CAS Number: | 81786-73-4 |
| ECHA EC Number: | 279-822-9 |
| FDA UNII: | 18682V2R6J |
| XlogP3-AA: | 3.70 (est) |
| Molecular Weight: | 182.30654000 |
| Formula: | C12 H22 O |
| NMR Predictor: | Predict |
| Also(can) Contains: | (E)-woody amylene |
| | 3,5,6,6-woody amylene |
| | woody amylene |
| 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 |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 85.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86100 to 0.87000 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.164 to 7.239
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| Specific Gravity: | 0.86200 to 0.87100 @ 20.00 °C.
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| Pounds per Gallon - est.: | 7.181 to 7.256
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| Refractive Index: | 1.45300 to 1.46100 @ 20.00 °C.
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| Boiling Point: | 246.20 °C. @ 760.00 mm Hg (est)
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| Vapor Pressure: | 0.028000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 186.00 °F. TCC ( 85.56 °C. )
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| logP (o/w): | 3.774 (est) |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
Odor Description: at 100.00 %. | woody floral pine balsam violet methyl ionone Luebke, William tgsc, (1988) |
| Odor sample from: | International Flavors & Fragrances Inc. |
| Substantivity: | 12 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
| A.C.S. International |
| Pentaflorone
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| Azelis |
| KOAVONE
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| CG Herbals |
| Koavone
Odor: Woody, floral complex with amber and violet nuances Use: A highly diffusive product used to enhance amber notes. |
| Creatingperfume.com |
| KOAVONE® (IFF)
Odor: Diffusive, woody, floral complex with amber and violet nuances |
| Ernesto Ventós |
| KOAVONE IFF
Odor: WOODY, BALSAMIC, PINE, FLORAL |
| IFF |
| KOAVONE®
Odor: Woody, floral complex with amber and violet nuances. A highly diffusive product that can be used to enhance amber notes. At high levels an aldehydic, pine needle oil effect is realised |
| Indukern F&F |
| KOAVONE
Odor: WOODY, VIOLET, PINE, BALSAMIC |
| Kun Shan P&A |
| Koavone
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| Lluch Essence |
| PRATONE
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| Moellhausen |
| KOAVONE
Nature-identical |
| PCW France |
| Astrone
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| Penta International |
| ACETYL DIISOAMYLENE
| | PerfumersWorld |
| Koavone
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| Phoenix Aromas & Essential Oils |
| Acetyl Diisoamylene
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| Taytonn |
| Koavone®
Odor: Amber/ Ambery, Balsamic, Floral, Pine, Woody |
| The John D. Walsh Company |
| Koavone
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| The Perfumers Apprentice |
| Koavone (I)**
Odor: Woody, floral complex with amber and violet nuances. very diffusive, enhances amber notes Use: high levels gives an aldehydic, pine needle oil effect. |
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. |
| 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: | fragrance agents |
| Recommendation for (Z)-woody amylene usage levels up to: | | | 30.0000 % in the fragrance concentrate.
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| Recommendation for (Z)-woody amylene 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:
| | acetyl diisoamylene | | 3- | hepten-2-one, 3,4,5,6,6-pentamethyl-, (Z)- | | | koavone | | | pentaflorone | | (Z)-3- | pentamethyl hepten-2-one | | cis-3- | pentamethyl hepten-2-one | | (Z)-3,4,5,6,6- | pentamethylhept-3-en-2-one | | (Z)- | woody amylene |
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, 14.27 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Stability: |
| | alcoholic lotion | | | antiperspirant | | | deo stick | | | fabric softener | | | shampoo | | | soap |
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