Articles:
cyclopentanone, 2-[(3,3,5-trimethylcyclohexyl)acetyl]- (9CI)
Notes:
None found
| Fragrance Demo Formulas | ||
| CAS Number: | 84642-57-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 283-434-5 | |
| Nikkaji Web: | J333.547J | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 250.38162000 | |
| Formula: | C16 H26 O2 | |
| 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: | 355.00 to 357.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000029 mmHg @ 25.00 °C. (est) |
| Flash Point: | 273.00 °F. TCC ( 133.60 °C. ) (est) |
| logP (o/w): | 3.634 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.545 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| woody animal aromatic | |
| Odor Description: at 10.00 % in dipropylene glycol. | intensively woody, animal-like; extremely diffusive, excellent tenacity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
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 | |||
| Recommendation for trimethyl cyclohexyl acetyl cyclopentanone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3020012 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-[2-(3,3,5-trimethylcyclohexyl)acetyl]cyclopentan-1-one | |
| Chemidplus: | 0084642579 |
References:
| 2-[2-(3,3,5-trimethylcyclohexyl)acetyl]cyclopentan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3020012 |
| Pubchem (sid): | 135210091 |
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 |
Potential Blenders and core components note
| For Odor | ||
| fruity | ||
| heptyl isovalerate | FL/FR | |
| woody | ||
| 4-(3,3- | dimethyl bicyclo(2.2.1)hept-2-yl)-1-methyl-2-oxabicyclo(2.2.2)octane | FR |
| For Flavor | ||
| No flavor group found for these | ||
| heptyl isovalerate | FL/FR | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| cyclopentanone, 2-[(3,3,5-trimethylcyclohexyl)acetyl]- (9CI) | |
| 2-((3,3,5- | trimethyl cyclohexyl)acetyl) cyclopentan-1-one |
| 2-((3,3,5- | trimethylcyclohexyl)acetyl)cyclopentan-1-one |
| 2-[(3,3,5- | trimethylcyclohexyl)acetyl]cyclopentan-1-one |
| 2-[2-(3,3,5- | trimethylcyclohexyl)acetyl]cyclopentan-1-one |