3-Methoxypropionic acid - ≥96% , CAS No.2544-06-1

CAS: 2544-06-1 Cat. No.: M169065 Formula: C₄H₈O₃ Molecular Weight: 104.1 EC Number: 629-546-3

GRADE & PURITY ≥96%

Synonyms

Propanoic acid, 3-methoxy- | 3-Methoxypropanoicacid | A852107 | GS-3717 | SCHEMBL61972 | STL168024 | SY028921 | 3-Methoxypropionic acid | 3-methoxy-propionic acid | AMY2689 | Semustine [USAN:INN] | 3-Methoxypropionic acid, 96% | NCGC00015934-01 | MFCD0004

Storage

Room temperature

Shipped In

Normal

Application

227,228,229

Overview

3-Methoxypropionic acid is an alkoxy acid. The base-catalyzed methanolysis of 1-nitroso-5,6-dihydrouracil, potent liver carcinogen, is reported to yield 3-methoxypropionic acid.

Specifications

Synonyms

Propanoic acid, 3-methoxy- | 3-Methoxypropanoicacid | A852107 | GS-3717 | SCHEMBL61972 | STL168024 | SY028921 | 3-Methoxypropionic acid | 3-methoxy-propionic acid | AMY2689 | Semustine [USAN:INN] | 3-Methoxypropionic acid, 96% | NCGC00015934-01 | MFCD0004

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488187819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187819
• Canonical Smiles: COCCC(=O)O
• IUPAC Name: 3-methoxypropanoic acid
• InChIKey: YSIKHBWUBSFBRZ-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
• Isomeric SMILES: COCCC(=O)O
• Molecular Weight: 104.1
• Reaxy-Rn: 1743053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743053&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20/D 1.420
• Boil Point(°C): 116 °C/9 mmHg
• Molecular Weight: 104.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2544-06-1, the molecular formula is C4H8O3, and the molecular weight is 104.1 g/mol. InChIKey YSIKHBWUBSFBRZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.