BETA-ALA

BETA-ALA - Names and Identifiers

Name	beta-Alanine
Synonyms	β-Ala Beta-Ala BETA-ALA b-Alanine H-BAla-OH FEMA 3252 H-β-Ala-OH beta-Alanine BETA-ALANINE β-Alanine-14C H-BETA-ALA-OH NH2-(CH2)2-COOH H-GLY(C*CH2)-OH RARECHEM EM WB 0001 β-Aminopropionic acid 3-aminopropionic acid 3-Aminopropanoic acid beta-aminopropionic acid BETA-AMINO-PROPIONIC ACID b-Alanine,(3-Aminopropionic acid) H-beta-Ala-OH~3-Aminopropionic acid
CAS	107-95-9
EINECS	203-536-5
InChI	InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey	UCMIRNVEIXFBKS-UHFFFAOYSA-N

BETA-ALA - Physico-chemical Properties

Molecular Formula	C3 H7 N O2
Molar Mass	89.09
Density	1,437 g/cm3
Melting Point	202°C (dec.)(lit.)
Boling Point	237.1±23.0 °C(Predicted)
Flash Point	204-206°C
JECFA Number	1418
Water Solubility	Soluble in water(550g/L). Slightly soluble in alcohol. Insoluble in ether and acetone.
Solubility	Soluble in water, solubility in water: 55g/100ml (25°C), slightly soluble in ethanol, insoluble in ether, acetone and organic solvents
Appearance	White crystalline powder
Color	White
Maximum wavelength(λmax)	['λ: 260 nm Amax: ≤0.02', , 'λ: 280 nm Amax: ≤0.02']
Merck	14,205
BRN	906793
pKa	3.55(at 25℃)
PH	6.0-7.5
Storage Condition	Keep in dark place,Inert atmosphere,Room temperature
Stability	Stable. Keep dry.
Refractive Index	1.4650 (estimate)
MDL	MFCD00008200
Physical and Chemical Properties	Pure white prismatic Crystal, slightly sweet. Soluble in water, water solubility: 55g/100ml (25°C), slightly soluble in methanol and ethanol, insoluble in ether, acetone and organic solvents. The pH value of 50% aqueous solution is 6.5-7.3. Its hydrochloride is white flake or leaf Flake crystal, and its platinum chloride salt is yellow Platelet. Melting Point: 197-203 ℃ density: 1.437(19 ℃)
Use	Mainly used for the synthesis of pantothenic acid and calcium pantothenate, carnosine, pamidronate sodium, balsalazide, etc., in medicine, feed, food and other fields are widely used. Also used for electroplating corrosion inhibitors and biochemical reagents.

BETA-ALA - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3
RTECS	UA2369200
TSCA	Yes
HS Code	29224920

BETA-ALA - Reference

Reference

1. [IF=4.952] Fengfeng Qu et al."Effect of different drying methods on the sensory quality and chemical components of black tea."Lwt Food Sci Technol. 2019 Jan;99:112

BETA-ALA - Nature

Open Data Verified Data

White rhomboid Crystal, slightly sweet. Soluble in water, ethanol-soluble, insoluble in ether and acetone. Melting point 205 °c (decomposition). 50% pH value of aqueous solution 6.o ~ 7.3. The solubility in 0. 11 water was 55. 5g at 25 ℃. Its hydrochloride is white flake or leaf-like crystal, melting point 122.5 ℃. Its platinum chloride salt is yellow platelets, melting point 210 deg C (decomposition).

Last Update：2024-01-02 23:10:35

BETA-ALA - Preparation Method

Open Data Verified Data

acrylonitrile method acrylonitrile and ammonia in diphenylamine and tert-butyl alcohol solution at a temperature of 109 ° C. And 1176 ° C. Under a pressure of 798kPa, the reaction is carried out to generate β-aminopropionitrile, which is then reacted with sodium hydroxide to generate β-aminopropionic acid sodium, and finally acidified with hydrochloric acid to generate β-aminopropionic acid.
The aminopropionitrile method is obtained by hydrolysis and acid analysis of β-aminopropionitrile.
succinimide degradation method.

Last Update：2022-01-01 10:36:20

BETA-ALA - Introduction

β-propyl acid is a β − amino acid, which is a component of pantothenic acid, and is also a rate-limiting amino acid in the biosynthesis of histidine antioxidant dipeptide carnosine and goose carnosine. Endogenous β-amino acids are non-selective agonists of glycine receptors and ligands of the G-protein-coupled orphan receptor TGR7(MrgD). In marine organisms, preimplantation mouse embryos and mammalian cells exposed to hypoxia stress, β-alanine flow can maintain stable osmotic pressure and play a cytoprotective role.

Last Update：2022-10-16 17:11:51

BETA-ALA - Use

Open Data Verified Data

This product is mainly used for the synthesis of medicine and feed additives of calcium pantothenate raw materials, can also be used for the preparation of electroplating corrosion inhibitor, used as biochemical reagents and organic synthesis intermediates.

Last Update：2022-01-01 10:36:19

BETA-ALA - Safety

Open Data Verified Data

This product is non-toxic.
can be packed in plastic bags, each 30kg, or with fiber board barrel, 50kg per barrel.

Last Update：2022-01-01 10:36:20

BETA-ALA - Reference Information

FEMA	3252 \| BETA-ALANINE
Decomposition	204-206 ºC
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
use	is mainly used as a raw material for synthesizing calcium pantothenate, as well as electroplating corrosion inhibitor and biochemical reagent this product is mainly used as a raw material for synthesizing calcium pantothenate of pharmaceutical and feed additives, and can also be used for preparing electroplating corrosion inhibitor, as biological reagent and organic synthesis intermediate. It is mainly used in the synthesis of pantothenic acid and calcium pantothenate, carnosine, sodium pamidronate, balsalazide, etc. It is widely used in medicine, feed, food and other fields. It is also used for electroplating corrosion inhibitors and biochemical reagents. used as food and health food additives endogenous β-amino acid, non-selective glycine receptor agonist, G-protein coupled orphan receptor (TGR7,MrgD) ligand. By supporting the osmotic stability of marine organisms, β-amino acid outflow plays a role in cell protection.
Production method	1. Acrylonitrile reacts with ammonia in diphenylamine and tert-butanol solution to form β-aminopropionitrile, and then undergo alkaline hydrolysis to obtain. Acrylonitrile, diphenylamine and tert-butanol were sequentially added into a dry autoclave, stirred for 5min, liquid ammonia was added, the temperature was controlled at 100-109 ℃, the pressure was about 1MPa, and the temperature was kept warm and stirred for 4h. Stop stirring when it is cold to below 10 ℃ and the pressure drops to normal pressure. At 65-70 ℃/(8.0-14.7kPa), t-butanol was recovered under reduced pressure to obtain crude β-aminopropionitrile. The crude product was distilled under reduced pressure to collect 66-105 ℃/(1.33-4.0kPa) fraction to obtain β-aminopropionitrile. Alkalolysis operation is carried out in a reaction tank. Liquid alkali is first added, β-aminopropionitrile is slowly added dropwise under the control temperature of 90-95 ℃-stirring, and the temperature is kept for 1h after the addition is completed. Evaporate under reduced pressure for half an hour to remove ammonia from the reaction solution, add an appropriate amount of water, and add hydrochloric acid dropwise to the pH7-7.2. Filter to remove a small amount of insoluble impurities. The filtrate is concentrated under reduced pressure until a large amount of solid is precipitated, and the material is drained while it is hot, cooled to below 10 ℃, filtered, and dried in vacuum to obtain β-alanine. The method consumes 982kg of β-aminopropiononitrile per ton of product, and the yield in alkaline hydrolysis stage is 90%. 2. Alkaline sodium hypochlorite solution (containing sodium hypochlorite 14%, sodium hydroxide 8%, sodium carbonate 30%) and ice are put into a reaction tank by succinimide degradation (Huo's reaction), succinimide is added under stirring, and reacted at 18-25 ℃ for 0.5h. Heat up to 40-50 ℃ for 1h. Add hydrochloric acid to adjust to pH4-5, reduce pressure and concentrate. After the concentrated solution is cooled, add 3 times the amount of 95% ethanol to precipitate the inorganic salt, filter it, and repeat it again. Then the filtrate is diluted with 4 times the amount of distilled water and refluxed for 1h. Add activated carbon to decolorize, filter, and exchange filtrate through exchange resin. The obtained exchange solution is decolorized with activated carbon, filtered, the filtrate is concentrated under reduced pressure, cooled and crystallized, filtered, recrystallized once with distilled water, β-aminopropionic acid. 3. The β-aminopropionitrile method is obtained by hydrolysis and acid analysis of β-aminopropionitrile.