Methoxyacetic Acid - ≥96% , CAS No.625-45-6

CAS: 625-45-6 Cat. No.: M158057 Formula: C₃H₆O₃ Molecular Weight: 90.08 Beilstein Registry Number: 635800 EC Number: 210-894-6

GRADE & PURITY ≥96%

Synonyms

NSC 7300 | DTXCID9011591 | EN300-20233 | F11T1H7Q7W | METHOXYACETIC ACID | methoxy-acetic acid | D77874 | 2-METHOXY-D3-ACETIC ACID | CCRIS 6518 | Methoxyacetic acid, 98% | UNII-F11T1H7Q7W | CHEBI:132098 | EC 210-894-6 | Z104477404 | 2-methoxy acetic acid

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Description：
Methoxyacetic acid is the major metabolite of ester phthalates widely used in industry as gelling, viscosity and stabilizer reagents.

 Product Application：
Methoxyacetic acid was used in zebrafish embryotoxicity test to evaluate chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis in ovo.

Specifications

Synonyms

NSC 7300 | DTXCID9011591 | EN300-20233 | F11T1H7Q7W | METHOXYACETIC ACID | methoxy-acetic acid | D77874 | 2-METHOXY-D3-ACETIC ACID | CCRIS 6518 | Methoxyacetic acid, 98% | UNII-F11T1H7Q7W | CHEBI:132098 | EC 210-894-6 | Z104477404 | 2-methoxy acetic acid

Specifications & Purity

≥96%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Pubchem Sid

508814918

Canonical Smiles

COCC(=O)O

IUPAC Name

2-methoxyacetic acid

InChIKey

RMIODHQZRUFFFF-UHFFFAOYSA-N

INCHI

1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)

Isomeric SMILES

COCC(=O)O

WGK Germany

2

RTECS

AI8650000

UN Number

3265

Packing Group

I

Molecular Weight

90.08

Beilstein

635800

Reaxy-Rn

635800

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635800&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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.417
• Flash Point(°F): 249.8 °F
• Flash Point(°C): 121 °C
• Boil Point(°C): 202-204 °C
• Melt Point(°C): 7-9 °C
• Molecular Weight: 90.080 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.000
• 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