| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 68891-95-2 |
| ECHA EC Number: | 272-585-2 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | cedralone |
| InChI : | InChI=1/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3 |
| Std.InChI: | InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3 |
| InChIKey : | CHPQWDBBFXQHQC-UHFFFAOYAT |
| Std.InChIKey: | CHPQWDBBFXQHQC-UHFFFAOYSA-N |
| SMILES : | O=C2CC13C(CCC3C(C(C1)C2C)(C)C)C |
| Molar Refractivity : | 65.41 ± 0.4 cm3 (est) |
| Parachor : | 531.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.506 ± 0.03 (est) |
| Surface Tension : | 34.1 ± 5.0 dyne/cm (est) |
| Density : | 1.00 ± 0.1 g/cm3 (est) |
| Polarizability : | 25.93 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 291.38 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 252.00 °F. TCC ( 122.50 °C. ) (est) |
| logP (o/w): | 4.330 (est) |
| Soluble in: | |
| water, 5.088 mg/L @ 25 °C (est) | |
| None found |
| None found |
| 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 | |
| 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 cedralone flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68891-95-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :111402 |
| National Institute of Allergy and Infectious Diseases:Data |
| Chemidplus:0068891952 |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 111402 |
| Pubchem (sid): | 135070100 |
| (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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| found in nature |
| cedran-9-one | |
| 9- | cedranone |
| hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one | |
| 2,6,6,8- | tetramethyl tricyclo(5.3.1.01,5)undecan-9-one |
| None found yet. Try the PubMed Search. |
