| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 112448-63-2 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | 5-methoxyhinokinin |
| InChI : | InChI=1/C21H20O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15H,4-5,9-11H2,1H3/t14-,15+/m0/s1 |
| Std.InChI: | InChI=1S/C21H20O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15H,4-5,9-11H2,1H3/t14-,15+/m0/s1 |
| InChIKey : | GDOAQHHMFNQXLJ-LSDHHAIUBY |
| Std.InChIKey: | GDOAQHHMFNQXLJ-LSDHHAIUSA-N |
| SMILES : | COC1=CC(=CC2=C1OCO2)C[C@@H]3[C@H](COC3=O)CC4=CC5=C(C=C4)OCO5 |
| Molar Refractivity : | 97.51 ± 0.3 cm3 (est) |
| Parachor : | 763.8 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.615 ± 0.02 (est) |
| Surface Tension : | 55.9 ± 3.0 dyne/cm (est) |
| Density : | 1.376 ± 0.06 g/cm3 (est) |
| Polarizability : | 38.65 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 1.787 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 5-methoxyhinokinin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 5-methoxyhinokinin 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 :102060991 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one |
| (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 102060991 |
| Pubchem (cas): | 112448-63-2 |
| (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): | HMDB38950 |
| FooDB: | FDB018430 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| (3R,4R)-4-(1,3- | benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one |
| None found yet. Try the PubMed Search. |
