Calcium Pantothenate
Basic information
- CAS
137-08-6- Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Ca+2]- InChIKey
FAPWYRCQGJNNSJ-UBKPKTQASA-L- Molecular formula
- C18H32CaN2O10
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.1682862
Overview
Calcium pantothenate is a polymer.
Names & identifiers
- Preferred name
- Calcium Pantothenate
- IUPAC
- calcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)
- English name
- Calcium D-Pantothenate
- Molecular formula
- C9H17NO5.1/2Ca
- Molecular weight
- 476.53
Names & synonyms
calcium pantothenate137-08-6D-Calcium pantothenatePantholinCalpanCalcium D-pantothenatePantothenate calciumVitamin B5, calcium saltCalpanatePantothenate de calciumCris PanCalcii pantothenas
Show more names
VITAMIN B5Pantothenic acid calciumD-PANTOTHENIC ACID HEMICALCIUM SALTD-PANTOTHENIC ACID CALCIUM SALTpancalCalcium D-Panthotenate
D-ca pantothenateCalcium pantotenateCa-HOPAPantothenic acid calcium saltBis(pantothenato)calciumDTXSID8040438Calcium pantothenate, d-Dextro calcium pantothenate
Database identifiers
- CAS
137-08-6- PubChem CID
- 443753
- DTXSID
DTXSID8040438- ChEMBL
CHEMBL1901349- ChEBI
CHEBI:31345- UNII
- 568ET80C3D
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Calcium Pantothenate) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Collision Cross Section204.26 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- alpha
- 26.5 · 26.5 º (c=5, in water)
- refractive index
- 27 ° · 27 ° (C=5, H2O)
- Flash point
- 145 °C · 145 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL at 25 °C, clear, nearly colorless
- form
- Powder
- color
- White or almost white
- PH
- 6.8 · 6.8-7.2 (25℃, 50mg/mL in H2O)
- Odor
- Odorless
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (26 of 26) of all reports.
Not Classified
Aggregated GHS information provided per 26 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1)
Regulation (EC) No 1831/2003 (amended)
Calcium Pantothenate: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Calcium pantothenate
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RU4375000
- hs_code
- 29362400
- risk_code
- 20/21/22-37/38-41-48
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
D - Dermatologicals
QA - Alimentary tract and metabolism
QD - Dermatologicals
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Uses & manufacturing
UsesCIR ingredient: Calcium Pantothenate
Household ProductsInformation on 21 consumer products that contain Calcium pantothenate in the following categories is provided:
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
General Manufacturing Information.beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1): ACTIVE
Applications
Uses1. It can be applied to biochemical studies; as the nutrient composition of tissue culture medium. It is clinically used for the treatment of vitamin B deficiency, peripheral neuritis and postoperative colic. 2. It can be used as food fortifier, also used as infant food with the usage amount of 15~28 mg/kg; it is 2~4mg/kg in the drink. 3. This product is a vitamin drugs, being an integral part of coenzyme A. In the mixture of calcium pantothenate, only the right-hand body has vitamin activity, participating into the in vivo metabolism of protein, fat and carbohydrate. It can be used for the treatment of vitamin B deficiency and peripheral neuritis, and postoperative colic. Its combined treatment with vitamin C can be used for the treatment of disseminated lupus erythematosus. The lack of calcium pantothenate in human body has the following symptoms: (1) growth arrest, weight loss and sudden death. (2) Skin and hair disorders. (3) Neurological disorders. (4) Digestive disorders, liver dysfunction. (5) Affect the antibody formation. (6) Kidney dysfunction. Every day the body demands 5 mg of calcium pantothenate (calculated based on pantothenic acid). Calcium pantothenate, as a nutritional supplement, can be used for the food processing. In addition to special nutritional food, the usage amount should be below 1% (calculated on calcium) (Japan). Upon the strengthening of the milk powder, the usage amount should be 10 mg/100g. Addition of 0.02% into the Shochu and whiskey can further enhance the flavor. Addition of 0.02% into the honey can prevent the winter crystallization. It can be used for buffering the bitterness of caffeine and saccharin. 4. It can be used as feed additives, food additives, being in line with Pharmacopoeia USP28/BP2003 5. It can be used as nutritional supplements, being able to enhance the flavor of shochu whiskey to prevent the crystallization of honey in winter. 6. It is the precursor product for the biosynthesis of coenzyme A. Because of the easy-deliquescence of pantothenic acid and other unstable properties, it is used of calcium salt as the substitute.
Related reactions
5 records
Compound notes
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