| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 85-61-0 |
| ECHA EC Number: | 201-619-0 |
| FDA UNII: | SAA04E81UX |
| Category: | cosmetic ingredient for skin conditioning |
| IUPAC Name: | coenzyme A |
| InChI : | InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1 |
| Std.InChI: | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1 |
| InChIKey : | RGJOEKWQDUBAIZ-DRCCLKDXBU |
| Std.InChIKey: | RGJOEKWQDUBAIZ-DRCCLKDXSA-N |
| SMILES : | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O |
| Molar Refractivity : | 157.20 ± 0.5 cm3 (est) |
| Parachor : | 1244.5 ± 8.0 cm3 (est) |
| Index of Refraction : | 1.736 ± 0.05 (est) |
| Surface Tension : | 102.4 ± 7.0 dyne/cm (est) |
| Density : | 1.96 ± 0.1 g/cm3 (est) |
| Polarizability : | 62.31 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Flash Point: | 32.00 °F. TCC ( 0.00 °C. ) (est) |
| logP (o/w): | -4.358 (est) |
| Soluble in: | |
| water, 2.192e+004 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | skin conditioning |
| BOC Sciences |
| For experimental / research use only. |
| Coenzyme A Purity >85% |
| George Uhe Company |
| Coenzyme A, Free Acid |
| Glentham Life Sciences |
| Coenzyme A hydrate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Coenzyme A ≥93% |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| Coenzyme A hydrate ≥85% (UV, 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: | |||
| cosmetic ingredient for skin conditioning | |||
| Recommendation for coenzyme A usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for coenzyme A flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):85-61-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6816 |
| National Institute of Allergy and Infectious Diseases:Data |
| [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl][3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylam |
| Chemidplus:0000085610 |
| [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl][3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylam | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 85-61-0 |
| Pubchem (cid): | 6816 |
| Pubchem (sid): | 134972978 |
| (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 |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C00010 |
| HMDB (The Human Metabolome Database): | HMDB01423 |
| FooDB: | FDB022614 |
| YMDB (Yeast Metabolome Database): | YMDB00045 |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| emollients | |
| solvents |
| not found in nature |
| CoA-SH | |
| coenzyme A-SH | |
| coenzyme ASH | |
| depot-zeel | |
| propionyl CoA | |
| propionyl coenzyme A | |
| S-propanoate CoA | |
| S-propanoate coenzyme A | |
| S-propionate CoA | |
| S-propionate coenzyme A |
