Vitamin B5 (CAS 79-83-4) — formula C9H17NO5, molecular weight 219.23.
| CAS Number | 79-83-4 |
|---|---|
| Molecular Formula | C9H17NO5 |
| Molecular Weight | 219.23 |
| Melting Point | < 25 °C |
| LogP | -1.69 |
| Applications | Uses: CIR ingredient: Pantothenic Acid, A B complex vitamin found in all plants and animals that is essential for the biosynthesis of coenzyme A in mammals, [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], ... Commonly included in multivitamin preparations and in products for enteral and parenteral alimentation., Food additive, Sodium pantothenate, BIOLOGICAL ACTIVITIES: Antiallergic, antiarthritic, antiephalagic, possible anticlaudificant, antidermatitic, antifatigue, antihypercholesterolemic, possible antiielus, possible antiinsomniac, possible antirheumatitic, cancer-preventive, THERAPEUTIC CATEGORY: Vitamin, THERAPEUTIC CATEGORY (VETERINARY): Nutritional factor: dietary essential except in horses, ruminants, Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Calculated removal (%): 92.1, Use Classification: EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Cosmetics -> Hair conditioning, Antistatic, Skin conditioning, Household Products: Information on 10 consumer products that contain Pantothenic Acid in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: The biosynthesis of pantothenic acid proceeds via enzyme-catalyzed condensation of pantoic acid with beta-alanine in the presence of adenosine triphosphate., The starting materials for the large-scale production of calcium (R)-pantothenate, the commercial form of pantothenic acid, are (R)-pantolactone and calcium beta-alaninate. ... Calcium (R)-pantothenate is obtained by the reaction of calcium beta-alaninate with (R)-pantolactone in boiling methanol or ethanol. Depending on the crystallization and drying conditions, three solventless polymorphous forms, two solvates, and an amorphous product can be isolated. Hygroscopic prisms with four moles of methanol and one mole of water are formed on crystallization from 90% aqueous methanol at 0 °C. Drying of these prisms at 80 °C and 30 mbar produces X-ray amorphous calcium (R)-pantothenate while maintaining the crystal form. Calcium (R)-pantothenate can be produced by seeded crystallization in 90% aqueous methanol by exploiting the higher solubility of the racemate compared with the solvates of the enantiomers. Racemization of the S form is achieved with sodium methoxide in anhydrous methanol., Calcium (R)-pantothenate, Sodium (R)-pantothenate is isolated by reacting sodium beta-alaninate with (R)-pantolactone in methanol or ethanol (1 hour, 65 °C). On cooling, it crystallizes in the form of square platelets (mp 160 - 165 °C) and is highly hygroscopic., Sodium (R)-pantothenate, Formulations, Preparations: Dexpanthenol (injection): solution 250 mg, mL in 2 and 10 mL containers, pantothenic acid (oral): tablets 50, 100, and 200 mg., Oral: Tablets: 100 mg, 200 mg, 250 mg, 500 mg.(Available from one or more manufacturer, distributor, and, or repackager by generic (nonproprietary) name.), Calcium pantothenate is available as tablets containing from 10 to 545 mg, U.S. Imports: (1984) 1.53 X 10+9 g, D- and DL-Pantothenic Acid and Derivatives, Synthetic, U.S. Exports: (1984) 3.89 X 10+7 g, D- and DL-Pantothenic Acid, Bulk, General Manufacturing Information: Pantothenic acid is included in multiple vitamin preparations as the calcium or sodium salt or the alcohol, panthenol., Pantothenic acid derivatives sold commercially are prepared by synthesis. May be prepared by the direct condensation of beta-alanine with the optically resolved form of the lactone of pantoic acid (2, 4-dihydroxy-3, 3-dimethylbutyric acid) which is prepared from isobutyraldehyde., Panthenol is the most stable in liquid products, but is not recommended for use in foods ... D, L-calcium pantothenate-calcium chloride complex is less hygroscopic and has superior stability in multivitamin tablets ... Calcium pantothenate has good stability in dry mixes such as grain based complete protein foods., Pantothenic acid appears to reduce the toxicity of number of drugs including antibiotics, and the pantothenate forms of aminoglycoside antibiotics have been made and used to reduce the parent drug's potential toxicity., For more General Manufacturing Information (Complete) data for D-Pantothenic Acid (7 total), please visit the HSDB record page. |
Documented applications: Uses: CIR ingredient: Pantothenic Acid, A B complex vitamin found in all plants and animals that is essential for the biosynthesis of coenzyme A in mammals, [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], ... Commonly included in multivitamin preparations and in products for enteral and parenteral alimentation., Food additive, Sodium pantothenate, BIOLOGICAL ACTIVITIES: Antiallergic, antiarthritic, antiephalagic, possible anticlaudificant, antidermatitic, antifatigue, antihypercholesterolemic, possible antiielus, possible antiinsomniac, possible antirheumatitic, cancer-preventive, THERAPEUTIC CATEGORY: Vitamin, THERAPEUTIC CATEGORY (VETERINARY): Nutritional factor: dietary essential except in horses, ruminants, Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Calculated removal (%): 92.1, Use Classification: EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Cosmetics -> Hair conditioning, Antistatic, Skin conditioning, Household Products: Information on 10 consumer products that contain Pantothenic Acid in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: The biosynthesis of pantothenic acid proceeds via enzyme-catalyzed condensation of pantoic acid with beta-alanine in the presence of adenosine triphosphate., The starting materials for the large-scale production of calcium (R)-pantothenate, the commercial form of pantothenic acid, are (R)-pantolactone and calcium beta-alaninate. ... Calcium (R)-pantothenate is obtained by the reaction of calcium beta-alaninate with (R)-pantolactone in boiling methanol or ethanol. Depending on the crystallization and drying conditions, three solventless polymorphous forms, two solvates, and an amorphous product can be isolated. Hygroscopic prisms with four moles of methanol and one mole of water are formed on crystallization from 90% aqueous methanol at 0 °C. Drying of these prisms at 80 °C and 30 mbar produces X-ray amorphous calcium (R)-pantothenate while maintaining the crystal form. Calcium (R)-pantothenate can be produced by seeded crystallization in 90% aqueous methanol by exploiting the higher solubility of the racemate compared with the solvates of the enantiomers. Racemization of the S form is achieved with sodium methoxide in anhydrous methanol., Calcium (R)-pantothenate, Sodium (R)-pantothenate is isolated by reacting sodium beta-alaninate with (R)-pantolactone in methanol or ethanol (1 hour, 65 °C). On cooling, it crystallizes in the form of square platelets (mp 160 - 165 °C) and is highly hygroscopic., Sodium (R)-pantothenate, Formulations, Preparations: Dexpanthenol (injection): solution 250 mg, mL in 2 and 10 mL containers, pantothenic acid (oral): tablets 50, 100, and 200 mg., Oral: Tablets: 100 mg, 200 mg, 250 mg, 500 mg.(Available from one or more manufacturer, distributor, and, or repackager by generic (nonproprietary) name.), Calcium pantothenate is available as tablets containing from 10 to 545 mg, U.S. Imports: (1984) 1.53 X 10+9 g, D- and DL-Pantothenic Acid and Derivatives, Synthetic, U.S. Exports: (1984) 3.89 X 10+7 g, D- and DL-Pantothenic Acid, Bulk, General Manufacturing Information: Pantothenic acid is included in multiple vitamin preparations as the calcium or sodium salt or the alcohol, panthenol., Pantothenic acid derivatives sold commercially are prepared by synthesis. May be prepared by the direct condensation of beta-alanine with the optically resolved form of the lactone of pantoic acid (2, 4-dihydroxy-3, 3-dimethylbutyric acid) which is prepared from isobutyraldehyde., Panthenol is the most stable in liquid products, but is not recommended for use in foods ... D, L-calcium pantothenate-calcium chloride complex is less hygroscopic and has superior stability in multivitamin tablets ... Calcium pantothenate has good stability in dry mixes such as grain based complete protein foods., Pantothenic acid appears to reduce the toxicity of number of drugs including antibiotics, and the pantothenate forms of aminoglycoside antibiotics have been made and used to reduce the parent drug's potential toxicity., For more General Manufacturing Information (Complete) data for D-Pantothenic Acid (7 total), please visit the HSDB record page..
Vitamin B5 is a chemical compound with CAS registry number 79-83-4 and molecular formula C9H17NO5 (molecular weight 219.23).
CAS number: 79-83-4
Its molecular formula C9H17NO5 comprises 9 C, 17 H, 1 N, 5 O atoms.
Also known as: Vitamin B5 · 维生素B5 · Pantothenic Acid
The CAS registry number of Vitamin B5 is 79-83-4.
Molecular formula C9H17NO5, molecular weight 219.23.
It is also registered under: Vitamin B5, 维生素B5, Pantothenic Acid.
Recorded applications: Uses: CIR ingredient: Pantothenic Acid, A B complex vitamin found in all plants and animals that is essential for the biosynthesis of coenzyme A in mammals, [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], ... Commonly included in multivitamin preparations and in products for enteral and parenteral alimentation., Food additive, Sodium pantothenate, BIOLOGICAL ACTIVITIES: Antiallergic, antiarthritic, antiephalagic, possible anticlaudificant, antidermatitic, antifatigue, antihypercholesterolemic, possible antiielus, possible antiinsomniac, possible antirheumatitic, cancer-preventive, THERAPEUTIC CATEGORY: Vitamin, THERAPEUTIC CATEGORY (VETERINARY): Nutritional factor: dietary essential except in horses, ruminants, Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Calculated removal (%): 92.1, Use Classification: EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Cosmetics -> Hair conditioning, Antistatic, Skin conditioning, Household Products: Information on 10 consumer products that contain Pantothenic Acid in the following categories is provided:, • Personal Care, • Pet Care, Methods of Manufacturing: The biosynthesis of pantothenic acid proceeds via enzyme-catalyzed condensation of pantoic acid with beta-alanine in the presence of adenosine triphosphate., The starting materials for the large-scale production of calcium (R)-pantothenate, the commercial form of pantothenic acid, are (R)-pantolactone and calcium beta-alaninate. ... Calcium (R)-pantothenate is obtained by the reaction of calcium beta-alaninate with (R)-pantolactone in boiling methanol or ethanol. Depending on the crystallization and drying conditions, three solventless polymorphous forms, two solvates, and an amorphous product can be isolated. Hygroscopic prisms with four moles of methanol and one mole of water are formed on crystallization from 90% aqueous methanol at 0 °C. Drying of these prisms at 80 °C and 30 mbar produces X-ray amorphous calcium (R)-pantothenate while maintaining the crystal form. Calcium (R)-pantothenate can be produced by seeded crystallization in 90% aqueous methanol by exploiting the higher solubility of the racemate compared with the solvates of the enantiomers. Racemization of the S form is achieved with sodium methoxide in anhydrous methanol., Calcium (R)-pantothenate, Sodium (R)-pantothenate is isolated by reacting sodium beta-alaninate with (R)-pantolactone in methanol or ethanol (1 hour, 65 °C). On cooling, it crystallizes in the form of square platelets (mp 160 - 165 °C) and is highly hygroscopic., Sodium (R)-pantothenate, Formulations, Preparations: Dexpanthenol (injection): solution 250 mg, mL in 2 and 10 mL containers, pantothenic acid (oral): tablets 50, 100, and 200 mg., Oral: Tablets: 100 mg, 200 mg, 250 mg, 500 mg.(Available from one or more manufacturer, distributor, and, or repackager by generic (nonproprietary) name.), Calcium pantothenate is available as tablets containing from 10 to 545 mg, U.S. Imports: (1984) 1.53 X 10+9 g, D- and DL-Pantothenic Acid and Derivatives, Synthetic, U.S. Exports: (1984) 3.89 X 10+7 g, D- and DL-Pantothenic Acid, Bulk, General Manufacturing Information: Pantothenic acid is included in multiple vitamin preparations as the calcium or sodium salt or the alcohol, panthenol., Pantothenic acid derivatives sold commercially are prepared by synthesis. May be prepared by the direct condensation of beta-alanine with the optically resolved form of the lactone of pantoic acid (2, 4-dihydroxy-3, 3-dimethylbutyric acid) which is prepared from isobutyraldehyde., Panthenol is the most stable in liquid products, but is not recommended for use in foods ... D, L-calcium pantothenate-calcium chloride complex is less hygroscopic and has superior stability in multivitamin tablets ... Calcium pantothenate has good stability in dry mixes such as grain based complete protein foods., Pantothenic acid appears to reduce the toxicity of number of drugs including antibiotics, and the pantothenate forms of aminoglycoside antibiotics have been made and used to reduce the parent drug's potential toxicity., For more General Manufacturing Information (Complete) data for D-Pantothenic Acid (7 total), please visit the HSDB record page..
Independent reference data for Vitamin B5 (CAS 79-83-4), compiled from public chemistry databases.
| CAS Registry Number | 79-83-4 |
|---|---|
| PubChem CID | 6613 |
| Molecular formula | C9H17NO5 |
| IUPAC name | 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid |
| UNII (FDA) | 19F5HK2737 |
| Molecular Weight | 219.23 |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 219.11067264 |
| Monoisotopic Mass | 219.11067264 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 15 |
| Melting Point | < 25 °C |
|---|---|
| Solubility | 1000.0 mg/mL |
| LogP | -1.69 |
| Collision Cross Section | 146.6 Ų [M-H]- |
| Collision Cross Section | 150.8 Ų [M+Na]+ |
| Collision Cross Section | 129.8 Ų [M+H]+ |
| Collision Cross Section | 203 Ų [M+H]+ |
pantothenic acid; D-pantothenic acid; 79-83-4; vitamin B5; Chick antidermatitis factor; (+)-Pantothenic acid; Vitamin B-5; Kyselina pantothenova; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; Pantothenic acid (d); 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid; (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine; beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-; N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; 19F5HK2737; DTXSID9023417
| Regulatory & Food Contact | CIR / INCI: Cosmetic ingredients (Pantothenic Acid) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Antistatic; Skin conditioning; Hair conditioning |
|---|---|
| GHS notification summary | 100% (3 / 3) |
| GHS notification summary | 100% (3 / 3) |
|---|
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.
Pantothenic Acid · CAS 79-83-4 · C9H17NO5. UNII 19F5HK2737. Melting Point: < 25 °C; Solubility: 1000.0 mg/mL; LogP: -1.69.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 维生素B5