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

CAS: 627-03-2 Cat. No.: E156174 분자식: C₄H₈O₃ 분자량: 104.11 Beilstein Registry Number: 1743040 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488181617

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

CCOCC(=O)O

WGK 독일

3

RTECS

AH3600000

UN 번호

3265

포장 그룹

I

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(비인간)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), Methanol (Slightly)
• 굴절률: 1.4170 to 1.4200
• 발화점(°F): 206.6 °F
• 발화점(°C): 97°C
• 끓는점(°C): 207°C
• 분자량: 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