| Category: | natural substances and extractives |
|---|---|
| IUPAC Name: | beta-agarofuran |
| InChI : | InChI=1/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1 |
| Std.InChI: | InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1 |
| InChIKey : | IEZDOTGOEOFYHV-AODWJNRKBA |
| Std.InChIKey: | IEZDOTGOEOFYHV-AODWJNRKSA-N |
| SMILES : | CC1([C@@H]2CCC3(CCC=C[C@]3(C2)O1)C)C |
| Molar Refractivity : | 62.39 ± 0.4 cm3 (est) |
| Parachor : | 497.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.521 ± 0.03 (est) |
| Surface Tension : | 34.7 ± 5.0 dyne/cm (est) |
| Density : | 1.00 ± 0.1 g/cm3 (est) |
| Polarizability : | 24.73 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 16.36 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 beta-agarofuran usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for beta-agarofuran flavor usage levels up to: | |||
| not for flavor use. | |||
| (1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6431303 |
| Pubchem (cas): | NF0398 |
| (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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| 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 |
| (1S,9R)-6,10,10- | trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene |
