| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 7715-98-2 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | mansonone M |
| InChI : | InChI=1/C16H16O4/c1-7-5-10(19-4)11-8(2)6-20-16-9(3)14(17)15(18)12(7)13(11)16/h5,8H,6H2,1-4H3 |
| Std.InChI: | InChI=1S/C16H16O4/c1-7-5-10(19-4)11-8(2)6-20-16-9(3)14(17)15(18)12(7)13(11)16/h5,8H,6H2,1-4H3 |
| InChIKey : | OVVQUWWPZAAYMD-UHFFFAOYAU |
| Std.InChIKey: | OVVQUWWPZAAYMD-UHFFFAOYSA-N |
| SMILES : | Cc1cc(c2c3c1C(=O)C(=O)C(=C3OCC2C)C)OC |
| Molar Refractivity : | 72.08 ± 0.4 cm3 (est) |
| Parachor : | 567.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.586 ± 0.03 (est) |
| Surface Tension : | 48.6 ± 5.0 dyne/cm (est) |
| Density : | 1.26 ± 0.1 g/cm3 (est) |
| Polarizability : | 28.57 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 467.90 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 410.00 °F. TCC ( 209.90 °C. ) (est) |
| logP (o/w): | 3.060 (est) |
| Soluble in: | |
| water, 40.98 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 mansonone M usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for mansonone M 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 |
| National Institute of Allergy and Infectious Diseases:Data |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 7715-98-2 |
| (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): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| 4- | methoxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione |
| naphtho[1,8-bc]pyran-7,8-dione, 2,3-dihydro-4-methoxy-3,6,9-trimethyl- |
