| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 62311-70-0 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | acorusnol |
| InChI : | InChI=1/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3/t11-,12+,15-/m0/s1 |
| Std.InChI: | InChI=1S/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3/t11-,12+,15-/m0/s1 |
| InChIKey : | SZNXJUGSSOHWJM-ZOWXZIJZBJ |
| Std.InChIKey: | SZNXJUGSSOHWJM-ZOWXZIJZSA-N |
| SMILES : | CC1=C2C(=O)[C@@H](CC[C@]2([C@@H](CC1)O)C)C(C)C |
| Molar Refractivity : | 68.45 ± 0.4 cm3 (est) |
| Parachor : | 564.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.511 ± 0.03 (est) |
| Surface Tension : | 37.3 ± 5.0 dyne/cm (est) |
| Density : | 1.03 ± 0.1 g/cm3 (est) |
| Polarizability : | 27.13 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 96.87 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: | |||
| natural substances and extractives | |||
| Recommendation for acorusnol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for acorusnol flavor usage levels up to: | |||
| not for flavor use. | |||
| 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 :102585858 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2S,4aR,5R)-5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one |
| (2S,4aR,5R)-5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 102585858 |
| Pubchem (cas): | 62311-70-0 |
| (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): | HMDB30920 |
| FooDB: | FDB002886 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| (2S,4aR,5R)-5- | hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one |
| None found yet. Try the PubMed Search. |
