Ethoxyacetic Acid - ≥98%(GC) , CAS No.627-03-2

CAS: 627-03-2 Cat. No.: E156174 Formula: C₄H₈O₃ Peso molecolare: 104.11 Beilstein Registry Number: 1743040 Numero EC: 210-978-2

GRADE & PURITY ≥98%(GC)

Synonyms

Tox21_202431 | ?Ethoxyacetic acid | NSC6750 | NSC-6750 | Ethoxyacetic acid, 98% | Tox21_303384 | Z104495232 | CAS-627-03-2 | FT-0625741 | DTXSID7031294 | Acetic acid, 2-ethoxy- | ETHOXYACETIC ACID (EGMEE (110-80-5)) | NCGC00090711-02 | NCGC00257362-01 | S

Storage

Room temperature

Shipped In

Normal

Panoramica

Ethoxyacetic acid is biomarker of exposure to widely used industrial chemicals such as alkyl-substituted ethylene glycols and other aliphatic ethers
Ethoxyacetic acid is metabolite of glycol ether alkoxy acid and was used to evaluate its toxicity in embryonic stem cell test in mouse[3]. It was used in zebrafish embryotoxicity test to study chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis in ovo[4].

application：

Ethoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.

Specifications

Sinonimi

Tox21_202431 | ?Ethoxyacetic acid | NSC6750 | NSC-6750 | Ethoxyacetic acid, 98% | Tox21_303384 | Z104495232 | CAS-627-03-2 | FT-0625741 | DTXSID7031294 | Acetic acid, 2-ethoxy- | ETHOXYACETIC ACID (EGMEE (110-80-5)) | NCGC00090711-02 | NCGC00257362-01 | S

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488181617

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181617

Sorrisi canonici

CCOCC(=O)O

IUPAC Name

2-ethoxyacetic acid

InChIKey

YZGQDNOIGFBYKF-UHFFFAOYSA-N

INCHI

1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)

Isomeri SMILES

CCOCC(=O)O

WGK Germania

3

RTECS

AH3600000

Numero UN

3265

Gruppo di imballaggio

I

Peso molecolare

104.11

Beilstein

1743040

Reaxy-Rn

1743037

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743037&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

Oryctolagus cuniculus (11301 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly), Methanol (Slightly)
• Indice di rifrazione: 1.4170 to 1.4200
• Punto di infiammabilità (°F): 206.6 °F
• Punto di infiammabilità (°C): 97°C
• Punto di ebollizione (°C): 207°C
• Peso molecolare: 104.100 g/mol
• XLogP3: 0.000
• 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