| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 68845-00-1 |
| ECHA EC Number: | 272-447-1 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | woody nonane (ethoxy) |
| 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.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 |
| InChIKey : | LUNAXRIJWWBQTE-UHFFFAOYAU |
| Std.InChIKey: | LUNAXRIJWWBQTE-UHFFFAOYSA-N |
| SMILES : | CCOC1(CCC2C(=C)C1CCC2(C)C)C |
| Molar Refractivity : | 68.66 ± 0.4 cm3 (est) |
| Parachor : | 566.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.479 ± 0.03 (est) |
| Surface Tension : | 29.9 ± 5.0 dyne/cm (est) |
| Density : | 0.91 ± 0.1 g/cm3 (est) |
| Polarizability : | 27.22 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 267.00 to 268.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.014000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w): | 5.121 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.7633 mg/L @ 25 °C (est) | |
| Stability: | |
| alcoholic - good | |
| antiperspirant spray - moderate | |
| APC (pH = 10) - moderate | |
| candles - untested | |
| damp fabric - moderate | |
| dry fabric - moderate | |
| liquid bleach - poor | |
| pH = 2 - moderate | |
| powder detergent - moderate | |
| powder detergent + activator - moderate | |
| soap - good | |
| toiletries - good | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| ACS International |
| Orriwood |
| Operational Capabilities |
| Azelis UK |
| PHYSEOL |
| BOC Sciences |
| For experimental / research use only. |
| Boisiris |
| Ernesto Ventós |
| PHYSEOL FIRMENICH 963479 Odor: ORRIS, FLORAL, WOODY, AMBERGRIS |
| Firmenich |
| PHYSEOL for fragrance Odor: Elegant natural woody, powdery note with an ambery and orris character Use: Very efficient in composition, due to the advantage of combining together woody and floral-powdery effects. |
| 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. |
| Liaison Carbone |
| PHYSEOL |
| Lluch Essence |
| BOISIRIS |
| Organica Aromatics |
| Iris-OA |
| Penta International |
| BOISIRIS |
| Tadimety Aromatics |
| Woodiris Odor: Woody Amberyl orris floral |
| Vigon International |
| Boisiris Odor: Woody, Ambery, Orris |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Very efficient in composition, due to the advantage of combining together woody and floral-powdery effects. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2000 mg/kg Very efficient in composition, due to the advantage of combining together woody and floral-powdery effects. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for woody nonane (ethoxy) usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for woody nonane (ethoxy) flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68845-00-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :111376 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-ethoxy-4,8,8-trimethyl-9-methylidenebicyclo[3.3.1]nonane |
| Chemidplus:0068845001 |
| 4-ethoxy-4,8,8-trimethyl-9-methylidenebicyclo[3.3.1]nonane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68845-00-1 |
| Pubchem (cid): | 111376 |
| Pubchem (sid): | 135067578 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 3302.90.9000 |
| ChemSpider: | View |
| not found in nature |
| 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 (Givaudan) | |
| 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 (Firmenich) | |
| woodiris (Tadimety) |
