| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 182191-87-3 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | sapidolide A |
| InChI : | InChI=1/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3/t7-,8+,9-,10+,12+,13-,14-/m1/s1 |
| Std.InChI: | InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3/t7-,8+,9-,10+,12+,13-,14-/m1/s1 |
| InChIKey : | OZRZMHKATMSFPV-DZRLGDFYBI |
| Std.InChIKey: | OZRZMHKATMSFPV-DZRLGDFYSA-N |
| SMILES : | C[C@]12[C@@H]3CC[C@]1([C@@H]4[C@@H]([C@@H]([C@]2(OC3)O)OC4=O)C=C)O |
| Molar Refractivity : | 66.59 ± 0.3 cm3 (est) |
| Parachor : | 522.5 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.705 ± 0.02 (est) |
| Surface Tension : | 86.4 ± 3.0 dyne/cm (est) |
| Density : | 1.553 ± 0.06 g/cm3 (est) |
| Polarizability : | 26.40 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 9434 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 sapidolide A usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for sapidolide A 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 :101997172 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one |
| ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101997172 |
| Pubchem (cas): | 182191-87-3 |
| (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): | HMDB41582 |
| FooDB: | FDB021574 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| (1S,4S,7R,8S,11S,12S,13S)-13- | ethenyl-1,7-dihydroxy-12-methyl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-9-one |
| None found yet. Try the PubMed Search. |
