| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 62868-75-1 |
| FDA UNII: | SG179USB9V |
| Category: | natural substances and extractives |
| IUPAC Name: | austroinulin |
| InChI : | InChI=1/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9-/t14-,15-,16+,17+,19-,20+/m1/s1 |
| Std.InChI: | InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9-/t14-,15-,16+,17+,19-,20+/m1/s1 |
| InChIKey : | JEZOMVOAWYLQAJ-ZHPNODNJBS |
| Std.InChIKey: | JEZOMVOAWYLQAJ-ZHPNODNJSA-N |
| SMILES : | C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2[C@H]([C@@H]([C@@]1(C)O)O)O)(C)C)C)/C=C |
| Molar Refractivity : | 94.96 ± 0.3 cm3 (est) |
| Parachor : | 774.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.518 ± 0.02 (est) |
| Surface Tension : | 37.3 ± 3.0 dyne/cm (est) |
| Density : | 1.030 ± 0.06 g/cm3 (est) |
| Polarizability : | 37.64 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.5489 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 austroinulin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for austroinulin 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 :11472742 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol |
| Chemidplus:0062868751 |
| (1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11472742 |
| Pubchem (cas): | 62868-75-1 |
| (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): | HMDB36802 |
| FooDB: | FDB015748 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| 1,2,3- | naphthalenetriol, decahydro-3,4a,8,8-tetramethyl-4-((2Z)-3-methyl-2,4-pentadienyl)-, (1R,2S,3S,4R,4aS,8aS)- |
| (1R,2S,3S,4R,4aS,8aS)-3,4a,8,8- | tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol |
