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

CAS: 627-03-2 Cat. No.: E156174 Formule: C₄H₈O₃ Poids moléculaire: 104.11 Beilstein Registry Number: 1743040 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181617

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

CCOCC(=O)O

WGK Allemagne

3

RTECS

AH3600000

Numéro ONU

3265

Groupe d'emballage

I

Poids moléculaire

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
• 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

Cibles associées (non humaines)

Oryctolagus cuniculus (11301 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Methanol (Slightly)
• Indice de réfraction: 1.4170 to 1.4200
• Point d'éclair (°F): 206.6 °F
• Point d'éclair (°C): 97°C
• Point d'ébullition (°C): 207°C
• Poids moléculaire: 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