Articles:
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Notes:
Has vary good blending power.
| Name: | 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate | |
| CAS Number: | 68966-86-9 |  3D/inchi
|
| Other: | 68928-82-5 | |
| ECHA EINECS - REACH Pre-Reg: | 273-453-7 | |
| Nikkaji Web: | J310.242D | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 222.32774000 | |
| Formula: | C14 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | methyl 4-isopropyl-1-methyl bicyclo(2.2.2)oct-5-ene-2-carboxylate | |
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 |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00000 to 1.00500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.321 to 8.363 |
| Refractive Index: | 1.47700 to 1.49500 @ 20.00 °C. |
| Boiling Point: | 261.00 to 262.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 4.885 (est) |
| Shelf Life: | 36.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 3.762 mg/L @ 25 °C (est) | |
| Stability: | |
| AP roll-on 15% (very good) | |
| bleach (poor) | |
| body lotion (poor) | |
| cleaner APC liquid (good) | |
| cleaner liquid citric acid (good) | |
| detergent powder conc. (good) | |
| shampoo/shower gel (good) | |
| soap (good) | |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | woody dry clean mahogany dank sawdust |
| Substantivity: | 73 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety 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. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| Recommendation for woody carboxylate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for woody carboxylate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 68966-86-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 106713 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3082 |
| WGK Germany: | 2 |
| 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate | |
| Chemidplus: | 0068966869 |
References:
| 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68966-86-9 |
| Pubchem (cid): | 106713 |
| Pubchem (sid): | 135064313 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (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: | 3302.90.9090 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| ambergris | FR | |
| ambreine | FR | |
| angelica | FL/FR | |
| cabreuva wood | FR | |
| christmas | FR | |
| cistus | FL/FR | |
| clean | ||
| dogwood | FR | |
| floral | FR | |
| herbal | FR | |
| hinoki oil replacer | FR | |
| labdanum | FR | |
| orange bitter orange peel | FL/FR | |
| oriental | FR | |
| patchouli | FR | |
| sandalwood | FR | |
| spice | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| arboroma | |
| bicyclo(2.2.2)oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester | |
| 5(6)- | carbomethoxy-1-methyl-4-isopropyl bicyclo(2.2.2)oct-2-ene |
| 5(6)- | carbomethoxy-1-methyl-4-isopropyl-bicyclo[2.2.2.]oct-2-ene |
| mahagonat (Symrise) | |
| mahagonate (Symrise) | |
| methyl 1-methyl-4-isopropyl bicyclo(2.2.2)oct-5-ene carboxylate | |
| methyl 1-methyl-4-propan-2-yl bicyclo(2.2.2)oct-2-ene-7-carboxylate | |
| methyl 4(or 1)-isopropyl-1(or 4)-methyl bicyclo(2.2.2)oct-5-ene-2-carboxylate | |
| methyl 4(or 1)-isopropyl-1(or 4)-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate | |
| methyl isopropyl methyl bicyclooctene-2-carboxylate | |
| 4- | methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate |
| poivrol (Symrise) | |
| woody carboxylate |