| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 22554-56-9 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | beta-sitosterol behenate |
| InChI : | InChI=1/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3 |
| Std.InChI: | InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3 |
| InChIKey : | KESLVCKDQOQELG-UHFFFAOYAV |
| Std.InChIKey: | KESLVCKDQOQELG-UHFFFAOYSA-N |
| SMILES : | CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C |
| Molar Refractivity : | 231.41 ± 0.4 cm3 (est) |
| Parachor : | 1941.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.502 ± 0.03 (est) |
| Surface Tension : | 37.7 ± 5.0 dyne/cm (est) |
| Density : | 0.94 ± 0.1 g/cm3 (est) |
| Polarizability : | 91.74 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 6.467e-017 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-sitosterol behenate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for beta-sitosterol behenate 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 :15599871 |
| National Institute of Allergy and Infectious Diseases:Data |
| [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoate |
| [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15599871 |
| Pubchem (cas): | 22554-56-9 |
| (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): | HMDB39288 |
| FooDB: | FDB018833 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| [17-(5- | ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoate |
| None found yet. Try the PubMed Search. |
