| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 523-59-1 |
| FDA UNII: | 5634E8957P |
| Category: | natural substances and extractives |
| IUPAC Name: | seselin |
| InChI : | InChI=1/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 |
| Std.InChI: | InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 |
| InChIKey : | QUVCQYQEIOLHFZ-UHFFFAOYAI |
| Std.InChIKey: | QUVCQYQEIOLHFZ-UHFFFAOYSA-N |
| SMILES : | CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C |
| MDL: | MFCD01018179 |
| Molar Refractivity : | 62.47 ± 0.3 cm3 (est) |
| Parachor : | 477.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.583 ± 0.02 (est) |
| Surface Tension : | 42.6 ± 3.0 dyne/cm (est) |
| Density : | 1.222 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.76 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 60.34 mg/L @ 25 °C (est) | |
| None found |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| Seselin ≥98% (HPLC) |
| Preferred SDS: View | |
| 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 seselin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for seselin 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 :68229 |
| National Institute of Allergy and Infectious Diseases:Data |
| 8,8-dimethylpyrano[2,3-f]chromen-2-one |
| Chemidplus:0000523591 |
| 8,8-dimethylpyrano[2,3-f]chromen-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 68229 |
| Pubchem (sid): | 135025684 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09312 |
| HMDB (The Human Metabolome Database): | HMDB34257 |
| FooDB: | FDB012574 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| anise leaf Search Trop Picture | |
| bowdichia virgilioides root Search Trop Picture | |
| carum roxburghianum Search Trop Picture | |
| celery seed Search Trop Picture | |
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| 2H,8H- | benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl- |
| 8,8- | dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one |
| 8,8- | dimethylpyrano[2,3-f]chromen-2-one |
