Articles:
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ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
Notes:
None found
| CAS Number: | 68155-67-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 268-979-9 | |
| FDA UNII: | Z578SE5DGN | |
| Nikkaji Web: | J317.371B | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 234.38242000 | |
| Formula: | C16 H26 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 311.00 to 312.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 261.00 °F. TCC ( 127.20 °C. ) (est) |
| logP (o/w): | 5.103 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.725 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | Dermal sensitization and systemic toxicity | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.41 % | |||
| Category 2: Products applied to the axillae | |||
| 1.10 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.41 % | |||
| Category 4: Products related to fine fragrance | |||
| 20.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 5.10 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.56 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.76 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.19 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.0093 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.67 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.67 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.19 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 2.40 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 2.40 % | |||
| Category 10B: Household aerosol/spray products | |||
| 6.60 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.19 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.19 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Recommendation for 1,2,3,4,5,6,7,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl ethanone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 68155-67-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 109194 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone | |
| Chemidplus: | 0068155679 |
References:
| 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68155-67-9 |
| Pubchem (cid): | 109194 |
| Pubchem (sid): | 135064895 |
Other Information:
| (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 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| amber | FR | |
| balsam | FR | |
| oriental | FR | |
| patchouli | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- | |
| 1-(1,2,3,4,6,7,8,8a- | octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone |
| 1-(1,2,3,4,6,7,8,8a- | octahydro-2,3,8,8-tetramethyl-2-naphthyl) ethan-1-one |
| 1-(1,2,3,4,6,7,8,8a- | octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one |
| 1-(2,3,8,8- | tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone |