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2-cyclohexyl cyclohexanone
General Material Information
| Preferred name | 2-cyclohexyl cyclohexanone |
| Trivial Name | 2-Cyclohexylcyclohexanone |
| Short Description | bicyclohexanone P (IFF) |
| Formula | C12 H20 O |
| CAS Number | 90-42-6 |
| Deleted CAS Number | 112684-84-1 |
| ECHA Number | 201-991-4 |
| FDA UNII | B3QU3533W8 |
| Nikkaji Number | J41.835H |
| Beilstein Number | 1865785 |
| MDL | MFCD00013795 |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2914.29.5000 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 180.2906036377 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.08 to 8.13 |
| Refractive Index | 1.485 to 1.49 @ 20 °C |
| Boiling Point | 264 to 265°C @ 760 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 3.81 |
| Solubility | |
| alcohol | Yes |
| water, 30.41 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| cyclamen, sweet, herbal, cumin, minty, woody, orris, ozone | |
| Odor strength | medium |
| Substantivity | 44 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. cyclamen sweet herbal cumin mint woody orris ozone |
Potential Uses
| Applications | |
| Odor purposes | Floral , Herbal , Lily , Orris , Woody |
| Other purposes | Clean , Ozone |
| Cosmetic purposes | Perfuming agents |
Safety Information
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: | |
| oral-rat LD50 5000 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 7800 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 2-cyclohexyl cyclohexanone usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for 2-cyclohexyl 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 Substance Registry Services (TSCA):90-42-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7016 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-cyclohexylcyclohexan-1-one |
| Chemidplus:0000090426 |
| RTECS:DT7400000 for cas# 90-42-6 |