| Fragrance Demo Formulas |
4-ethoxy-4,8,8-trimethyl-9-methylidenebicyclo[3.3.1]nonane (Click)
IUPAC Name: 4-ethoxy-4,8,8-trimethyl-9-methylidenebicyclo[3.3.1]nonane
Std.InChI: InChI=1S/C15H26O/c1-6-16-15(5)10-8-12-11(2)13(15)7-9-14(12,3)4/h12-13H,2,6-10H2,1,3-5H3
InChI: InChI=1/C15H26O/c1-6-16-15(5)10-8-12-11(2)13(15)7-9-14(12,3)4/h12-13H,2,6-10H2,1,3-5H3
Std.InChIKey: LUNAXRIJWWBQTE-UHFFFAOYSA-N
InChIKey: LUNAXRIJWWBQTE-UHFFFAOYAU
SMILES: CCOC1(CCC2C(=C)C1CCC2(C)C)C
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| CAS Number: | 68845-00-1 |
| ECHA EC Number: | 272-447-1 |
| XlogP3-AA: | 3.60 (est) |
| Molecular Weight: | 222.37142000 |
| Formula: | C15 H26 O |
| 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: | 95.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Boiling Point: | 267.00 to 268.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.014000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 212.00 °F. TCC ( 100.00 °C. )
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| logP (o/w): | 5.121 (est) |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
Odor Description: at 100.00 %. | woody amber orris |
| Substantivity: | 96 Hour(s) |
| | |
Cosmetic Information:
Suppliers:
| Azelis |
| BOISIRIS
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| Azelis |
| PHYSEOL
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| CG Herbals |
| Boisiris
Odor: Woody-ambery, orris Use: Boisiris is a rich woody chemical with a distinct orrise note. Ambery and tobacco undertones add to its elegant character. Designed for use as a heart note in fine perfumery, it gives more volume and blends well with the citrus to notes of patchouli, sandalwood or vetiver oil. |
| Ernesto Ventós |
| PHYSEOL FIRMENICH 963479
Odor: ORRIS, FLORAL, WOODY, AMBERGRIS |
| Givaudan |
| Boisiris
Odor: Woody, Ambery, Orris Use: Boisiris is a rich woody chemical with a distinct orris note. Ambery and tobacco undertones add to its elegant character. Designed for use as a heart note in fine perfumery, it gives more volume and blends well with the citrus top notes and the woody back notes of patchouli, sandalwood or vetiver oil. |
| Organica Aromatics |
| Iris-OA
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| Penta International |
| BOISIRIS
| | Vigon International |
| Boisiris
Odor: Woody, Ambery, Orris |
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: | | |
oral-rat LD50 > 5000 mg/kg
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| Dermal Toxicity: | | |
skin-rabbit LD50 > 2000 mg/kg
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| Inhalation Toxicity: | | |
Not determined
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Safety in Use Information:
| Category: | fragrance agents |
| Recommendation for woody nonane (ethoxy) usage levels up to: | | | 10.0000 % in the fragrance concentrate.
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| Recommendation for woody nonane (ethoxy) 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:
| | bicyclo(3.3.1)nonane, 2-ethoxy-2,6,6-trimethyl-9-methylene- | | | bicyclo[3.3.1]nonane, 2-ethoxy-2,6,6-trimethyl-9-methylene- | | | boisiris | | 2- | ethoxy-2,6,6-trimethyl-9-methylene bicyclo(3.3.1)nonane | | 2- | ethoxy-2,6,6-trimethyl-9-methylenebicyclo(3.3.1)nonane | | 4- | ethoxy-4,8,8-trimethyl-9-methylidenebicyclo[3.3.1]nonane | | 2- | ethoxy-9-methylene-2,6,6-trimethyl bicyclo(3.3.1)nonane | | 2- | ethoxy-9-methylene-2,6,6-trimethyl-bicyclo[3.3.1]nonane | | 2- | ethoxy-9-methylene-2,6,6-trimethylbicyclo(3.3.1)nonane | | | ethyl 2,6,6-trimethyl-9-methylenebicyclo[3.3.1]non-2-yl ether | | | iris-OA | | | physeol |
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, 0.7633 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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