Articles:
cyclohexanone, 3-methyl-, (R)-
Notes:
Isol. from oil of Hedeoma pulegioides (American pennyroyal), Mentha spp. and other oils
| CAS Number: | 13368-65-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 236-438-6 | |
| FDA UNII: | 72794G6S5C | |
| Nikkaji Web: | J110.740B | |
| MDL: | MFCD00062999 | |
| XlogP3-AA: | 1.40 (est) | |
| Molecular Weight: | 112.17184000 | |
| Formula: | C7 H12 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: information only not used for fragrances or flavors
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91600 @ 25.00 °C. |
| Refractive Index: | 1.44600 @ 20.00 °C. |
| Boiling Point: | 169.00 to 170.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 1.575000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 115.00 °F. TCC ( 45.90 °C. ) (est) |
| logP (o/w): | 1.356 (est) |
| Soluble in: | |
| alcohol | |
| water, 5142 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (R)-(+)-3-Methylcyclohexanone |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| (R)-(+)-3-Methylcyclohexanone 98% |
Safety Information:
| Preferred SDS: View | |
| 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: | information only not used for fragrances or flavors | ||
| Recommendation for (R)-3-methyl cyclohexanone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (R)-3-methyl cyclohexanone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 83384 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| (3R)-3-methylcyclohexan-1-one | |
| Chemidplus: | 0013368655 |
References:
| (3R)-3-methylcyclohexan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 83384 |
| Pubchem (sid): | 135040441 |
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): | HMDB33667 |
| FooDB: | FDB012389 |
| Export Tariff Code: | 2914.29.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| hedeoma pulegioides oil Search Trop Picture |
Synonyms:
| cyclohexanone, 3-methyl-, (3R)- | |
| cyclohexanone, 3-methyl-, (R)- | |
| (R)-3- | methylcyclohexan-1-one |
| (+)-(3R)-3- | methylcyclohexanone |
| (+)-3- | methylcyclohexanone |
| (3R)-(+)-3- | methylcyclohexanone |
| (3R)-3- | methylcyclohexanone |
| (R)-(+)-3- | methylcyclohexanone |
| (R)-3- | methylcyclohexanone |
| (R)- | tetrahydro-m-cresol |
| (R)- | tetrahydro-meta-cresol |