2-Ethylhexyl Glycidyl Ether - ≥98%(GC) , CAS No.2461-15-6

CAS: 2461-15-6 Cat. No.: E132899 Molecular Weight: 186.3 EC Number: 219-553-6

GRADE & PURITY ≥98%(GC)

Synonyms

3-(GLYCIDYLOXYMETHYL)HEPTANE | Tox21_201983 | Oxirane, (((2-ethylhexyl)oxy)methyl)- | [(2-Ethylhexyl)methyl]oxirane | 2,3-Epoxypropyl-(2-ethylhexyl) ether | AKOS009075740 | (2-Ethylhexyloxy)-2,3-epoxypropane | 1-(2-ETHYLHEXYLOXY)-2,3-EPOXYPROPANE | 2-(((2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-(GLYCIDYLOXYMETHYL)HEPTANE | Tox21_201983 | Oxirane, (((2-ethylhexyl)oxy)methyl)- | [(2-Ethylhexyl)methyl]oxirane | 2, 3-Epoxypropyl-(2-ethylhexyl) ether | AKOS009075740 | (2-Ethylhexyloxy)-2, 3-epoxypropane | 1-(2-ETHYLHEXYLOXY)-2, 3-EPOXYPROPANE | 2-(((2

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752808
• Canonical Smiles: CCCCC(CC)COCC1CO1
• IUPAC Name: 2-(2-ethylhexoxymethyl)oxirane
• InChIKey: BBBUAWSVILPJLL-UHFFFAOYSA-N
• INCHI: 1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
• Isomeric SMILES: CCCCC(CC)COCC1CO1
• RTECS: TZ3300000
• Molecular Weight: 186.3
• Reaxy-Rn: 1236919
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Refractive Index: 1.43
• Flash Point(°F): 94°C(lit.)
• Flash Point(°C): 94°C(lit.)
• Boil Point(°C): 61 °C/0.3 mmHg
• Molecular Weight: 186.290 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Jinyi Liu, Haojie Yu, Li Wang, Sergey Z. Vatsadze, Dingning Chen, Xudong Wu, Xiaodan Gong, Yu Wang.  (2023)  One-step synthesis of ferrocenyl glycidyl ethers as combustion catalysts for the thermal decomposition of ammonium perchlorate.  POWDER TECHNOLOGY,      [PMID:] [10.1016/j.powtec.2023.118772]

2. Yuntao Lei, H.Q. Nimal Gunaratne, Lili Jin.  (2022)  Design and synthesis of pyridinamide functionalized ionic liquids for efficient conversion of carbon dioxide into cyclic carbonates.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2022.101930]

3. Qun Liu, Yan Li, Xiaodeng Yang, Shu Xing, Congde Qiao, Shoujuan Wang, Chunlin Xu, Tianduo Li.  (2020)  O-Carboxymethyl chitosan-based pH-responsive amphiphilic chitosan derivatives: Characterization, aggregation behavior, and application.  CARBOHYDRATE POLYMERS,      [PMID:32241407] [10.1016/j.carbpol.2020.116112]

4. Heng Li, Huitong Luo, Junpeng Zhao, Guangzhao Zhang.  (2018)  Well-Defined and Structurally Diverse Aromatic Alternating Polyesters Synthesized by Simple Phosphazene Catalysis.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.8b00159]