β-丙氨酸

Description

3-Aminopropanoic acid · CAS 87867-95-6 · C3H7NO2. UNII 11P2JDE17B. Melting Point: 200; Melting Point: 200 °C; Solubility: 545000.

Identification

CAS Registry Number	87867-95-6
PubChem CID	239
Molecular formula	C3H7NO2
IUPAC name	3-aminopropanoic acid
UNII (FDA)	11P2JDE17B
FEMA number	3252
JECFA number	1418

Computed Descriptors

Molecular Weight	89.09
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	89.047678466
Monoisotopic Mass	89.047678466
Topological Polar Surface Area	63.3
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Melting Point	200
Melting Point	200 °C
Solubility	545000
Solubility	545.0 mg/mL
Vapor Pressure	0.00000005 [mmHg]
LogP	-3.05
Ionization Efficiency	2.15
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	-2.46

Physical description & handling notes

• Solid; [Merck Index] White crystalline solid; [Alfa Aesar MSDS]
• Solid
• Colourless needles;
• Soluble in water; Insoluble in ether and acetone
• Slightly soluble (in ethanol)
• Positive

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/98
GHS notification summary	98.5% (322 / 327)

GHS Hazard Classification

GHS notification summary	98.5% (322 / 327)

Documented Uses

• Used to make pantothenic acid and derivatives and as a buffer in electroplating; [Merck Index] Used as flavoring agent or adjuvant and nutritional supplement; [FDA] An amino acid not found in protein; Used in organic synthesis and biochemical research; [Alfa Aesar MSDS]
• Electroplating [Category: Plate]
• Use (kg; approx.) in Germany (2009): >1000
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

beta-alanine; 3-Aminopropanoic acid; 107-95-9; 3-Aminopropionic acid; Abufene; Beta Alanine; beta-Aminopropionic acid; 2-Carboxyethylamine; omega-Aminopropionic acid; 3-Aminopropanoate; FEMA No. 3252; 11P2JDE17B; NSC-7603; DTXSID0030823; CHEBI:16958; 3 Aminopropionic Acid

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Aminopropanoic acid?

CAS 87867-95-6; molecular formula C3H7NO2; molecular weight — g/mol.

What other names is 3-Aminopropanoic acid known by?

beta-alanine, 3-Aminopropanoic acid, 107-95-9, 3-Aminopropionic acid, Abufene, Beta Alanine.

What is the regulatory status of 3-Aminopropanoic acid?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT; Flavoring Agents.

Is 3-Aminopropanoic acid classified as hazardous?

98.5% of GHS notifications report no hazard classification (322 of 327).

What are the key physical properties of 3-Aminopropanoic acid?

Melting Point: 200; Melting Point: 200 °C; Solubility: 545000; Solubility: 545.0 mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.