| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 205115-74-8 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | lansiumarin B |
| InChI : | InChI=1/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ |
| Std.InChI: | InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ |
| InChIKey : | NNZMYFZCHMIZMN-OVXNXNIRBQ |
| Std.InChIKey: | NNZMYFZCHMIZMN-OVXNXNIRSA-N |
| SMILES : | C/C(=C\COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C/C=C/C(C)(C)OO |
| Molar Refractivity : | 101.48 ± 0.3 cm3 (est) |
| Parachor : | 790.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.597 ± 0.02 (est) |
| Surface Tension : | 49.7 ± 3.0 dyne/cm (est) |
| Density : | 1.244 ± 0.06 g/cm3 (est) |
| Polarizability : | 40.23 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.3576 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 lansiumarin B usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for lansiumarin 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 :10499386 |
| National Institute of Allergy and Infectious Diseases:Data |
| 9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one |
| 9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10499386 |
| Pubchem (cas): | 205115-74-8 |
| (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): | HMDB34836 |
| FooDB: | FDB013402 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| 9-[(2E,5E)-7- | hydroperoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one |
| None found yet. Try the PubMed Search. |
