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D-(+)-Pantothenic acid calcium salt

Production method Uses Toxicity Usage limit Chemical properties Hazards & Safety Information

CAS No. 137-08-6
Chemical Name: D-(+)-Pantothenic acid calcium salt
Synonyms: pancal;Calpan;(theta)-;calpanate;Pantholin;NSC 36292;VITAMIN B5;panthoject;DL-Calcium;VITAMIN B3/B5
CBNumber: CB3695335
Molecular Formula: C18H32CaN2O10
Formula Weight: 476.53
MOL File: 137-08-6.mol
D-(+)-Pantothenic acid calcium salt Property
Melting point : 190 °C
alpha : 26.5 º (c=5, in water)
refractive index : 27 ° (C=5, H2O)
Fp : 145 °C
storage temp. : 2-8°C
solubility : H2O: 50 mg/mL at 25 °C, clear, nearly colorless
form : Powder
color : White or almost white
PH: 6.8-7.2 (25℃, 50mg/mL in H2O)
Water Solubility : Soluble in water.
Sensitive : Hygroscopic
Merck : 7015
Stability:: Stable, but may be moisture or air sensitive. Incompatible with strong acids, strong bases.
CAS DataBase Reference: 137-08-6(CAS DataBase Reference)
EPA Substance Registry System: .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3- dimethyl-1-oxobutyl]-, calcium salt (2:1)(137-08-6)
Safety
Hazard Codes : Xn
Risk Statements : 20/21/22-37/38-41-48
Safety Statements : 24/25-45-36/37/39-26-22
WGK Germany : 1
RTECS : RU4375000
F : 3-10
TSCA : Yes

D-(+)-Pantothenic acid calcium salt Chemical Properties,Usage,Production

Production method
Take isobutyraldehyde as raw material; carry out hydroxymethylation, addition reaction, hydrolysis, acidification, lactonization and acylation to derive the final product.
Formaldehyde and anhydrous potassium carbonate are sent into the reaction pot. At 14-20 °C, it is added dropwise of isobutyraldehyde. After the completion of the addition, incubate for stirring reaction for 3h, and then stand at 14-18 °C for 0.5 h to obtain the upper oil-2, 2-dimethyl-3-hydroxypropionaldehyde.
2, 2-dimethyl-3-hydroxypropanal is dissolved in 4 times the water while the sodium cyanide is dissolved in 6 times the water and calcium chloride dissolved in 2 times the water. The above solutions are successively added into the reaction pot. 50% sulfuric acid solution was added under stirring at 60-65 ° C for 6h; then being heated to 80-85 °C for 3h and subject to vacuum concentration to being thick. 95% ethanol was added to precipitate the inorganic salt and filtrate. After the recovery of ethanol through distillation under reduced pressure, collect the fractions of 130-145C (1.33-2.39 Kpa), namely ?-butyrolactone.
Then, β-aminopropionic acid, 5/6 methanol and lime were successively added to the reactor. Raise the temperature to 40 °C, and the reaction was stirred for 2 hours. The reaction mixture was allowed to stand for while before the supernatant was filtered by filtration. The solid residue in the pot was washed with 1/6 methanol and then filtered. The filtrate is placed in another reaction pot, being added of γ-butyrolactone for stirring and dissolving in room temperature for 40 h reaction to generate calcium pantothenate. Stirring with water and cooling to-5-0 °C, and add seed crystal for stirring of 24 hours, filter to obtain the dextro calcium pantothenate.
2/3 the amount of calcium pantothenate and calcium p-pantothenate are thrown into the reaction pot; add methanol and water, heat to 40 °C for stirring dissolving and filter upon being hot. The filtrate is cooled to 15 °C, added of a small amount of calcium L-pantothenate and crystal for 2h. When the specific rotation is up to +6 °-+8 °, separate the crystal, and wash with a small amount of methanol to obtain the L-calcium p-pantothenate (still used for resolution). The remaining 1/3 racemic calcium pantothenate was dissolved in a filtrate of 35-40 ° C, filtered and cooled to 15 ° C. A small amount of calcium p-pantothenate was added and the crystals were incubated for 2 hours. Crystals were separated when the specific rotation was-0.8 °--0.6 °, washed with a small amount of methanol and dried in vacuo to give calcium dextrate.
It is derived through the heating and condensation between calcium β-alanine and α-hydroxy β, β-dimethyl-γ-butyl ester.
Uses
1.    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.
Toxicity
LD50>10 g/kg (rat, oral);
GRAS (FDA, § 182.5212, §184.1212, 2000);
Usage limit
GMP as the limit (FDA &184.1212, 2000);
1% in general food (calculated based on calcium excluding special nutritional supplements; Japan, 1993);
Chemical properties
It appears as white crystalline (methanol), being hygroscopic; it is stable to the light and air with its aqueous solution being weakly alkaline. Its Mp is 195-196 °C (decomposition); Specific rotation [α] 26D + 28.2 ° (5%, water); It is soluble in water and glycerol, being slightly soluble in acetone and ethanol;
Hazards & Safety Information
Category: Toxic substances
Toxicity classification: Low toxicity
Acute toxicity: Oral-rat LD50: 10000 mg/kg; oral-mouse LD50: 10000 mg/kg
Flammability and Hazardous characteristics: Thermal decomposition releases toxic nitrogen oxides
Storage and transport characteristics Treasury: low temperature, ventilated and dry
Fire extinguishing agent:  water, carbon dioxide, dry powder, foam
Chemical Properties
white crystalline powder
Uses
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.
D-(+)-Pantothenic acid calcium salt Preparation Products And Raw materials
Raw materials
SULFURIC ACID beta-Alanine (2-METHYL-1H-INDOL-3-YL)-OXO-ACETIC ACID ETHYL ESTER Potassium carbonate Calcium Propionate 3-Hydroxy-2,2-dimethylpropanal Isobutyraldehyde gamma-Butyrolactone
Preparation Products
D-PANTOTHENIC ACID ETHYL LINOLEATE
D-(+)-Pantothenic acid calcium salt Suppliers      Global( 263)Suppliers     
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Asymmetric Synthesis Carboxylic Acid Salts Chiral Building Blocks 137-08-6 (+)-PANTOTHENIC ACID CALCIUM SALT PANTOTHENIC ACID CALCIUM SALT (R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT Organic Building Blocks VITAMIN B5 VITAMIN B3/B5 (theta)- beta-alanine,n-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,calciumsalt(2:1), calciampantothenate calciumd(+)-n-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alanina calciumpanthothenate calciumsalt(2:1),(+)-pantothenicaci calciumsalt,(+)-pantothenicaci calpanate dextrocalciumpantothenate N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,calciumsalt(2:1),(R)-.beta.-Alanine N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-alaninecalciumsalt n-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alaninecalcium pancal panthoject Pantholin pantothenatecalcium Ca (Calcium) Compounds Typical Metal Compounds Classes of Metal Compounds R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine hemicalcium salt calcium d-pantothenate,medicinal d-pantothenate calcium D - CALCIUM PANTHOTHENATE calcium pantothenate , D-form D-PANTOTHENIC ACID (HEMICALCIUM), 1000MG , NEAT POLYPEP LOW VISCOSITY D-PANTOTHENIC ACID HEMICALCIUM*SIGMAULTR A D-PANTOTHENIC ACID HEMICALCIUM PLANT*CEL L CULTURE T D-PANTOTHENIC ACID HEMICALCIUM*CELL CULT URE TESTED CALCIUM PANTOTHENATE USP D-PANTOTHENIC ACID CALCIUM SALT, USP 97-103% D-PANTOTHENIC ACID CALCIUM SALT, BIOTECH 98.5+% D-Calcium Pantothenate USP/FCC Calcium-D-PantothenateForBiochemistry CALCIUM-D-PANTOTHENATE, POWDER, PHARMA D-Calcium pantothenate, 97.50% C18H32CaN2O10 D-Calcium pantothenate, Eur. Pharm. DL-Calcium .beta.-Alanine, N-(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-, calcium salt (2:1) D-CALCIUM PANTOTHENATE USP CALCIUMPANTOTHENATE,FCC CALCIUMPANTOTHENATE,POWDER,USP CALCIUMPANTOTHENATE,ULTRAPURE 137-88-6 CaC9H16NO52 Calcium D-(+)-N-(α,γ-dihydroxy-β,β-dimethylbutyryl)-β-alaninate Calcium, bis(pantothenato)- (7CI)
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