D-PANTOTHENIC ACID CAS 79-83-4
Introduction：Basic information about D-PANTOTHENIC ACID CAS 79-83-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
D-PANTOTHENIC ACID Basic information
| Product Name: | D-PANTOTHENIC ACID |
| Synonyms: | (+)-pantothenicacid;(d,+)-n(alpha-gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine;4-dihydroxy-3,3-dimethyl-1-oxobutyl)-n-((r)-beta-alanin;chickantidermatitisfactor;D(+)-N-(2,4-Dihy-droxy-3,3-dimethylbutyryl)-alanine;d-pantothenicaci;kyselinapantothenova;N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,(R)-.beta.-Alanine |
| CAS: | 79-83-4 |
| MF: | C9H17NO5 |
| MW: | 219.24 |
| EINECS: | 201-229-0 |
| Product Categories: | FEED ADDITIVES;Aliphatics;Chiral Reagents;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Pharmaceuticals;Inhibitors;79-83-4 |
| Mol File: | 79-83-4.mol |
D-PANTOTHENIC ACID Chemical Properties
| Melting point | 178-179℃ |
| alpha | D25 +37.5° |
| Boiling point | 360.05°C (rough estimate) |
| density | 1.266 |
| refractive index | 1.4315 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| form | Oil to Gel |
| pka | 4.30±0.10(Predicted) |
| color | Colourless |
| Stability: | Hygroscopic |
| Cosmetics Ingredients Functions | HAIR CONDITIONING SKIN CONDITIONING ANTISTATIC |
| Cosmetic Ingredient Review (CIR) | D-PANTOTHENIC ACID (79-83-4) |
| InChI | InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/s3 |
| InChIKey | GHOKWGTUZJEAQD-KPOCXSGKNA-N |
| SMILES | [C@H](O)(C(=O)NCCC(=O)O)C(C)(C)CO |&1:0,r| |
| LogP | -0.856 (est) |
| EPA Substance Registry System | D-Pantothenic acid (79-83-4) |
Safety Information
| Hazardous Substances Data | 79-83-4(Hazardous Substances Data) |
| Toxicity | LD50 intraperitoneal in mouse: 1443mg/kg |
| Chemical Properties | Colorless or light yellow viscous oily liquid. Easy to absorb moisture, unstable. Acid, alkali, heat can accelerate its decomposition. It is insoluble in benzene, chloroform, slightly soluble in ether, pentanol, soluble in water, ethyl acetate, dioxane and glacial acetic acid. |
| Physical properties | Pantothenic acid is composed of β-alanine joined to 2,4-dihydroxy-3,3-dimethylbutyric acid via an amide linkage. The molecule has an asymmetric center, and only the R-enantiomer, usually called D-(+)pantothenic acid, is biologically active and occurs naturally. Appearance: pantothenic acid is a yellow, viscous oil. Its calcium and other salts, however, are colorless crystalline substances; calcium pantothenate is the main product of commerce. Solubility: neither form is soluble in organic solvents, but each is soluble in water and ethanol. Stability: aqueous solu tions of pantothenic acid are unstable when heated under acidic or alkaline conditions |
| Originator | Panto-250 , Bio-Tech Pharmacal |
| Uses | Pantothenic Acid is a member of the B complex vitamins; essential vitamin for the biosynthesis of coenzyme A in mammalian cells. Occurs ubiquitously in all animal and plant tissue. The richest common source is liver, but jelly of the queen bee contains 6 times as much as liver. Rice bran and molasses are other good sources. |
| Uses | Labelled Pantothenic Acid |
| Uses | Vitamin B5 is water-soluble. It is required for proper growth and maintenance of the body and is involved in body processes such as energy release from carbohydrates and metabolism of fatty acids. It is relatively stable through storage and is found in liver, eggs, and meat. |
| Definition | ChEBI: (R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate. |
| Manufacturing Process | Isobutylaldehyde reacted with formaldehyde in the presence potassium chromate as a result 2,2-dimethyl-3-hydroxy-propanal was obtained. The 2,2-dimethyl-3-hydroxy-propanal was treated by sodium cyanide so 2,4dihydroxy-3,3-dimethyl-butironitrile was prepared. The 2,4-dihydroxy-3,3-dimethyl-butironitrile was treated hydrochloric acid and D,L-3-hydroxy-4,4-dimethyl-dihydro-furan-2-one (D,L-pantolacton) was obtained. The racemic mixture of D- and L-pantolactons was a division of Dand L- isomers by the adding of α-phenylethylamine. So D-pantolacton was isolated. Acrylic acid contacted with NH3and β-alanine was obtained. D-Pantalacton reacted with β-alanine as a result 3-(2,4-dihydroxy-3,3dimethyl-butyrylamino)-propanoic acid was produced |
| Brand name | Calpan (BASF); Pantholin(Lilly). |
| Therapeutic Function | Vitamin |
| Safety Profile | Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx. |
D-PANTOTHENIC ACID Preparation Products And Raw materials
| Raw materials | Calcium D-Pantothenate-->Isobutyraldehyde-->Hydrochloric acid-->Sodium cyanide-->Potassium chromate-->Formaldehyde-->1,3-Dioxane-4-carboxamide, 2,2,5,5-tetramethyl-, (4R)--->D-(-)-PANTOLACTONE-->3-AMINO-PROPIONIC ACID ETHYL ESTER-->β-Alanine |
| Preparation Products | Coenzyme A-->phosphopantothenic acid |
