Ethylene Glycol Diphenyl Ether - ≥99%(GC) , CAS No.104-66-5

CAS: 104-66-5 Cat. No.: E156091 分子式: C₁₄H₁₄O₂ 分子量: 214.26 Beilstein Registry Number: 2052250 EC番号: 203-224-9

GRADE & PURITY ≥99%(GC)

Synonyms

Diphenyl Glycol | FT-0606430 | NSC 6794 | (2-Phenoxyethoxy)benzene # | DS-17906 | Ethane, 1,2-diphenoxy- | Q63395782 | Tox21_303309 | NSC-6794 | SCHEMBL27962 | 2-phenoxyethoxybenzene | (2-Phenoxyethoxy)benzene | Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis-

Storage

Room temperature

Shipped In

Normal

概要

Product Describtion:

1,2-Diphenoxyethane is the intermediate formed during sonochemical oxidation of phenoxyacetic acid and chloropheno

Specifications

同義語

Diphenyl Glycol | FT-0606430 | NSC 6794 | (2-Phenoxyethoxy)benzene # | DS-17906 | Ethane, 1,2-diphenoxy- | Q63395782 | Tox21_303309 | NSC-6794 | SCHEMBL27962 | 2-phenoxyethoxybenzene | (2-Phenoxyethoxy)benzene | Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis-

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 504751435
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751435
• カノニカル・スマイル: C1=CC=C(C=C1)OCCOC2=CC=CC=C2
• IUPAC Name: 2-phenoxyethoxybenzene
• InChIKey: XCSGHNKDXGYELG-UHFFFAOYSA-N
• INCHI: 1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
• 異性体SMILES: C1=CC=C(C=C1)OCCOC2=CC=CC=C2
• WGKドイツ: 3
• 分子量: 214.26
• Beilstein: 2052250
• Reaxy-Rn: 2052248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

関連ターゲット（人間）

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

関連ターゲット（非人間）

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 185 °C/12 mmHg
• 融点（°C）: 97 °C
• 分子量: 214.260 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 150.000
• 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

参考文献

1. Di Feng, Xueyan Li, Xiaojie Fan, Yifan Guo, Jingwei Zhang, Hang Yuan, Wenjuan Wang, Tingting Zhao, Tian Han.  (2023)  Cytotoxicity, endocrine disrupting activity, and chemical analysis of 42 food contact silicone rubber products.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36801328] [10.1016/j.scitotenv.2023.162298]