N-Acetyl-b-alanine

Modify Date: 2024-01-02 18:31:38

N-Acetyl-b-alanine Structure
N-Acetyl-b-alanine structure
Common Name N-Acetyl-b-alanine
CAS Number 3025-95-4 Molecular Weight 131.130
Density 1.2±0.1 g/cm3 Boiling Point 311.0±44.0 °C at 760 mmHg
Molecular Formula C5H9NO3 Melting Point 105-106℃
MSDS N/A Flash Point 141.9±28.4 °C

 Use of N-Acetyl-b-alanine


Ac-β-Ala-OH (N-Acetyl-β-alanine), an abnormal amino acid metabolite, is a mono-N-protected amino acid (MPAA) ligand[1].

 Names

Name N-acetyl-β-alanine
Synonym More Synonyms

 N-Acetyl-b-alanine Biological Activity

Description Ac-β-Ala-OH (N-Acetyl-β-alanine), an abnormal amino acid metabolite, is a mono-N-protected amino acid (MPAA) ligand[1].
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Han Seul Park, et al. Distal γ-C(sp 3 )-H Olefination of Ketone Derivatives and Free Carboxylic Acids. Angew Chem Int Ed Engl. 2020 Jul 27;59(31):12853-12859.

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 311.0±44.0 °C at 760 mmHg
Melting Point 105-106℃
Molecular Formula C5H9NO3
Molecular Weight 131.130
Flash Point 141.9±28.4 °C
Exact Mass 131.058243
PSA 66.40000
LogP -0.28
Vapour Pressure 0.0±1.5 mmHg at 25°C
Index of Refraction 1.484
Storage condition Store at 0-5°C

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: N-Acetyl-beta-Alanine
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319:Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:N-Acetyl-beta-Alanine
CAS number:3025-95-4

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C5H9NO3
Molecular weight:131.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases S26-S36/37/39
HS Code 2924199090

 Synthetic Route

~99%

N-Acetyl-b-alanine Structure

N-Acetyl-b-alanine

CAS#:3025-95-4

Literature: Naturale, Guillaume; Lamblin, Marc; Commandeur, Claude; Dessolin, Jean; Felpin, Francois-Xavier European Journal of Organic Chemistry, 2012 , # 29 p. 5774 - 5788,15 Title/Abstract Full Text Show Details Naturale, Guillaume; Lamblin, Marc; Commandeur, Claude; Felpin, Francois-Xavier; Dessolin, Jean European Journal of Organic Chemistry, 2012 , # 29 p. 5774 - 5788

~60%

N-Acetyl-b-alanine Structure

N-Acetyl-b-alanine

CAS#:3025-95-4

Literature: Nuevolution A/S Patent: US2003/143561 A1, 2003 ;

 Customs

HS Code 2924199090
Summary 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

(Z)-N-(1-Hydroxyethylidene)-β-alanine
3-acetylaminopropionic acid
MFCD00037296
N-acetylaminopropanoic acid
Ac-A-Ala-OH
N-Acetyl-beta-alanine
3-Acetylamino-propionic acid
3-acetamidopropanoic acid
β-Alanine, N-(1-hydroxyethylidene)-, (Z)-
Ac-b-Ala-OH
N-Acetyl-b-alanine
n-acetyl-|A-alanine
N-Acetyl-β-alanine
AC-Beta-Ala-OH
β-Alanine, N-acetyl-
EINECS 221-185-6
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