CAS No.137-08-6,Calcium pantothenate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	137-08-6
Name:	Calcium pantothenate
Article Data:	9
Cas Database

Formula:	C₁₈H₃₂CaN₂O₁₀
Molecular Weight:	476.537
Synonyms:	b-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-;(+)-Pantothenic acid calcium salt;Calcium D-(+)-N-(a,g-dihydroxy-b,b-dimethylbutyryl)-b-alaninate;Calcium D-(+)-pantothenate;Calcium D-pantothenate;b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1);Calpan;Calpanate;Dextro calcium pantothenate;N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine calcium;NSC 36292;Pancal;Panthoject;Pantholin;Pantothenate calcium;Pantothenicacid calcium salt;Pantothenic acid hemicalcium salt;Vitamin B5 calcium salt;D-Calcium Pantothenate;Calcium,bis(pantothenato)- (7CI);Pantothenic acid, calcium salt (2:1), D- (8CI);
EINECS:	205-278-9
Density:	1.266 g/cm³
Melting Point:	190 °C
Boiling Point:	551.5 °C at 760 mmHg
Flash Point:	287.3 °C
Solubility:	water: 50 mg/mL at 25 °C, clear, nearly colorless
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-37/38-41-48
Safety:	24/25-45-36/37/39-26-22
Transport Information:	25kgs
PSA:	191.72000
LogP:	-1.45900

Synthetic route

: 176374-84-8
D-pantolactone

: 36321-40-1
calcium beta-alaninate

: 137-08-6
calcium (R)-pantothenate

Conditions

Conditions	Yield
Stage #1: calcium beta-alaninate In ethanol at 75℃; for 6h; Stage #2: D-pantolactone In ethanol at 75℃; for 16h; Temperature;	96%

: 36321-40-1
calcium beta-alaninate

: 599-04-2
(R)-Pantolacton

: 137-08-6
calcium (R)-pantothenate

Conditions

Conditions	Yield
With sodium chloride; calcium oxide Reagent/catalyst; Milling;	71%
Stage #1: (R)-Pantolacton In methanol for 1h; Heating; Large scale; Green chemistry; Stage #2: calcium beta-alaninate In methanol for 2h; Reflux; Large scale; Green chemistry;

: 16690-93-0
sodium β-alaninate

: 599-04-2
(R)-Pantolacton

A: calcium pantoate

B: calcium panto-β-alanyl-β-alaninate

C: 137-08-6
calcium (R)-pantothenate

Conditions

Conditions	Yield
In methanol Product distribution / selectivity;

...Expand

: 137-08-6, 867-80-1, 6381-62-0, 6381-63-1, 15773-29-2, 64789-49-7, 122484-60-0, 131346-21-9
calcium-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alaninate

A: 137-08-6
calcium (R)-pantothenate

B: 137-08-6, 867-80-1, 6381-62-0, 6381-63-1, 15773-29-2, 64789-49-7, 122484-60-0, 131346-21-9
calcium (S)-pantothenate

Conditions

Conditions	Yield
In methanol; water at 35℃; Resolution of racemate;

: 137-08-6
calcium (R)-pantothenate

: 79-83-4
pantothenic acid

Conditions

Conditions	Yield
With oxalic acid In water at 20℃; for 2h;	95.11%
With (1S)-10-camphorsulfonic acid; trifluoroacetic acid at 0℃;
With Amberlite IR-120 In water Inert atmosphere;
With oxalic acid In water at 20℃; for 2h;

: 137-08-6
calcium (R)-pantothenate

: 67-63-0
isopropyl alcohol

: 131205-05-5
(R)-isopropyl 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate

Conditions

Conditions	Yield
With hydrogenchloride In water at 0 - 20℃; Reflux;	90%

: 2186-92-7
p-Anisaldehyde dimethyl acetal

: 137-08-6
calcium (R)-pantothenate

: 864239-47-4
3-{[(4R)-2-(p-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]carbonylamino}propionic acid

Conditions

Conditions	Yield
Stage #1: calcium (R)-pantothenate With sulfuric acid In N,N-dimethyl-formamide for 1h; Inert atmosphere; Stage #2: p-Anisaldehyde dimethyl acetal In N,N-dimethyl-formamide for 16h; Inert atmosphere;	75%
Stage #1: calcium (R)-pantothenate With sulfuric acid In acetone at 20℃; for 2h; Stage #2: p-Anisaldehyde dimethyl acetal With toluene-4-sulfonic acid In acetone at 20℃; for 37h;	34%

: 137-08-6
calcium (R)-pantothenate

: 67-64-1
acetone

: 167308-62-5
3-{[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]carbonylamino}propionic acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; for 16h; Inert atmosphere; Molecular sieve;	73%
With toluene-4-sulfonic acid at 20℃; for 18h; Molecular sieve;	55%
With toluene-4-sulfonic acid at 20℃; Molecular sieve;	36.8%

: 17612-91-8
1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride

: 137-08-6
calcium (R)-pantothenate

: 6098-36-8
(R)-S-(2-(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido)ethyl) ethanethioate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h;	73%

: 1256166-26-3
(E)-4-(phenylsulfonyl)but-3-en-1-amine hydrochloride

: 137-08-6
calcium (R)-pantothenate

: 1245941-20-1
(R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide

Conditions

Conditions	Yield
With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	64%

Downstream Products

79-50-5

107-95-9

Total:306 Page 1 of 9 1 2 3 4 5 6 …9 Next>>

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Chemistry

IUPAC Name: calcium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
Empirical Formula: C₁₈H₃₂CaN₂O₁₀
Molecular Weight: 476.5321g/mol
EINECS: 205-278-9
Structure of Calcium pantothenate (CAS NO.137-08-6):

Melting Point: 190 °C
Flash Point: 287.3 °C
Enthalpy of Vaporization: 95.61 kJ/mol
Boiling Point: 551.5 °C at 760 mmHg
Vapour Pressure: 1.84E-14 mmHg at 25°C
Solubility: H2O: 50 mg/mL at 25 °C, clear, nearly colorless
Stability: Stable, but may be moisture or air sensitive. Incompatible with strong acids, strong bases.
Product Categories: Biochemistry;Ca (Calcium) Compounds;Classes of Metal Compounds;Typical Metal Compounds;Vitamins;Nutritional Supplements;Nutritional fortification substances
Canonical SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]
InChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2
InChIKey: FAPWYRCQGJNNSJ-UHFFFAOYSA-L

Uses

Calcium Pantothenate is used as extender of Nutrition in animal feed.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	920mg/kg (920mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
mouse	LD50	intravenous	910mg/kg (910mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
mouse	LD50	oral	10gm/kg (10000mg/kg)		Drugs in Japan Vol. 6, Pg. 599, 1982.
mouse	LD50	subcutaneous	2700mg/kg (2700mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
rat	LD50	intraperitoneal	820mg/kg (820mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940.
rat	LD50	intravenous	830mg/kg (830mg/kg)		Drugs in Japan Vol. 6, Pg. 599, 1982.
rat	LD50	oral	> 10gm/kg (10000mg/kg)		Drugs in Japan Vol. 6, Pg. 599, 1982.
rat	LD50	subcutaneous	3400mg/kg (3400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 311, 1940

RTECS RU4375000

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 20/21/22-37/38-41-48
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R48:Danger of serious damage to health by prolonged exposure.
Safety Statements: 24/25-45-36/37/39-26-22
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
WGK Germany: 1
RTECS: RU4375000
F: 3-10

Specification

Calcium pantothenate , its cas register number is 137-08-6. It also can be called Bis(pantothenato)calcium ; Ca-HOPA ;
Calcii pantothenas ; Calcium D-pantothenate ; Calcium d-pantothenate ; Calcium, bis(pantothenato)- ; D-Calcium pantothenate calcium chloride double salt ; Dextro calcium pantothenate ; N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine calcium ; Pancal ; Panthoject ; Pantotenato calcico ; Pantothenate calcium ; Pantothenate de calcium ; Pantothenic acid, calcium salt ; Vitamin B5, calcium salt ; beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)- . Calcium pantothenate (CAS NO.137-08-6) is a white crystalline powder.

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