2-(2-Methoxyethoxy)acetic acid - technical grade , CAS No.16024-56-9

CAS: 16024-56-9 Cat. No.: M138320 Molecular Weight: 134.13 Beilstein Registry Number: 1753567 EC Number: 240-161-6

GRADE & PURITY Technical grade

Synonyms

DTXSID90166841 | BP-26112 | SY035294 | 3,6-dioxaheptanoic acid | m-PEG-CH2CO2H, MW 1,000 | 2-(2-methoxyethoxy)acetic acid (90%) | BP-23667 | m-PEG-CH2CO2H, MW 10,000 | AKOS000120427 | SCHEMBL157312 | 2-(2-Methoxyethoxy)acetic acid | 2-(2-methoxyethoxy)-ac

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID90166841 | BP-26112 | SY035294 | 3, 6-dioxaheptanoic acid | m-PEG-CH2CO2H, MW 1, 000 | 2-(2-methoxyethoxy)acetic acid (90%) | BP-23667 | m-PEG-CH2CO2H, MW 10, 000 | AKOS000120427 | SCHEMBL157312 | 2-(2-Methoxyethoxy)acetic acid | 2-(2-methoxyethoxy)-ac

Specifications & Purity

technical grade

Storage

Room temperature

Shipped In

Normal

Grade

Technical grade

Names and Identifiers

• Pubchem Sid: 488183053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183053
• Canonical Smiles: COCCOCC(=O)O
• IUPAC Name: 2-(2-methoxyethoxy)acetic acid
• InChIKey: CLLLODNOQBVIMS-UHFFFAOYSA-N
• INCHI: 1S/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)
• Isomeric SMILES: COCCOCC(=O)O
• WGK Germany: 1
• Molecular Weight: 134.13
• Beilstein: 1753567
• Reaxy-Rn: 1753567
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753567&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

Chemical and Physical Properties

• Refractive Index: 1.436
• Boil Point(°C): 245-250 °C
• Molecular Weight: 134.130 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 134.058 Da
• Monoisotopic Mass: 134.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 81.000
• 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

References

1. Jing Wang, Haijun Bi, Mengru Li, Hui Wang, Manman Xue, Jieyao Yu, Chi-Tang Ho, Liang Zhang, Qinglin Zhuo, Jiadao Jiang, Xiaochun Wan, Xiaoting Zhai.  (2023)  Contribution of theanine to the temperature-induced changes in aroma profile of Wuyi rock tea.  FOOD RESEARCH INTERNATIONAL,      [PMID:37254434] [10.1016/j.foodres.2023.112860]