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

CAS: 2461-15-6 Cat. No.: E132899 Fórmula: C₁₁H₂₂O₂ Peso molecular: 186.3 Número CE: 219-553-6

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504752808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752808

Sorrisos canónicos

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

SMILES isoméricas

CCCCC(CC)COCC1CO1

RTECS

TZ3300000

Peso molecular

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
    • Classe Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water
• Índice de refração: 1.43
• Ponto de inflamação (°F): 94°C(lit.)
• Ponto de inflamação (°C): 94°C(lit.)
• Ponto de ebulição (°C): 61 °C/0.3 mmHg
• Peso molecular: 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