| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 39012-15-2 |
| FDA UNII: | G6Z260XW5R |
| Category: | natural substances and extractives |
| IUPAC Name: | isoacolamone |
| InChI : | InChI=1/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3/t12-,13?,15+/m0/s1 |
| Std.InChI: | InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3/t12-,13?,15+/m0/s1 |
| InChIKey : | OUIUORSUNABXEN-RMTCENKZBB |
| Std.InChIKey: | OUIUORSUNABXEN-RMTCENKZSA-N |
| SMILES : | O=C1[C@@H](CC[C@@]2(C1/C(=C\CC2)C)C)C(C)C |
| Molar Refractivity : | 67.08 ± 0.3 cm3 (est) |
| Parachor : | 551.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.487 ± 0.02 (est) |
| Surface Tension : | 31.2 ± 3.0 dyne/cm (est) |
| Density : | 0.945 ± 0.06 g/cm3 (est) |
| Polarizability : | 26.59 ± 0.5 10-24cm3 (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 isoacolamone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for isoacolamone 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 :5318492 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2S,4aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one |
| Chemidplus:0039012152 |
| (2S,4aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5318492 |
| Pubchem (sid): | 39292524 |
| (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): | HMDB35720 |
| FooDB: | FDB014444 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| (2S,4aR)-4a,8- | dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one |
| 1(2H)- | naphthalenone, 3,4,4a,5,6,8a-hexahydro-4a,8-dimethyl-2-(1-methylethyl)-, (2S,4aR)- |
| (2S,4aR)-2-iso | propyl-4a,8-dimethyl-3,4,4a,5,6,8a-hexahydro-1(2H)-naphthalenone |
| None found yet. Try the PubMed Search. |
