| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 12656-97-2 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | istanbulin B |
| InChI : | InChI=1/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3/t8-,11+,13+,15+/m1/s1 |
| Std.InChI: | InChI=1S/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3/t8-,11+,13+,15+/m1/s1 |
| InChIKey : | IXMDYOSMFGVWJY-KIRGAOJCBD |
| Std.InChIKey: | IXMDYOSMFGVWJY-KIRGAOJCSA-N |
| SMILES : | C[C@@H]1CCC(=O)[C@H]2[C@]1(CC3=C(C(=O)O[C@H]3C2)C)C |
| Molar Refractivity : | 66.73 ± 0.4 cm3 (est) |
| Parachor : | 543.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.532 ± 0.03 (est) |
| Surface Tension : | 40.6 ± 5.0 dyne/cm (est) |
| Density : | 1.15 ± 0.1 g/cm3 (est) |
| Polarizability : | 26.45 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 848.4 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 istanbulin B usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for istanbulin B 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 :101967144 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4aS,5R,8aR,9aS)-3,4a,5-trimethyl-5,6,7,8a,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione |
| (4aS,5R,8aR,9aS)-3,4a,5-trimethyl-5,6,7,8a,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101967144 |
| Pubchem (cas): | 12656-97-2 |
| (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): | HMDB36005 |
| FooDB: | FDB014818 |
| VCF-Online: | VCF Volatile Compounds in Food |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
| None Found |
| None Found |
| (4aS,5R,8aR,9aS)-3,4a,5- | trimethyl-5,6,7,8a,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione |
| None found yet. Try the PubMed Search. |
