n-Octyl Phenyl Ether - ≥98%(GC) , CAS No.1818-07-1

CAS: 1818-07-1 Cat. No.: I134330 Summenformel: C₁₄H₂₂O Molekulargewicht: 206.33 Beilstein Registry Number: 6(4)560

GRADE & PURITY ≥98%(GC)

Synonyms

octoxybenzene | (Octyloxy)benzene | n-Octyloxybenzene | octylphenyl ether | SCHEMBL197384 | D91836 | octyloxybenzene | octyloxy-benzene | Benzene, (octyloxy)- | MFCD00191564 | n-octylphenyl ether | BAA81807 | n-Octyl Phenyl Ether | 1-Phenoxyoctane | Ether

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

octoxybenzene | (Octyloxy)benzene | n-Octyloxybenzene | octylphenyl ether | SCHEMBL197384 | D91836 | octyloxybenzene | octyloxy-benzene | Benzene, (octyloxy)- | MFCD00191564 | n-octylphenyl ether | BAA81807 | n-Octyl Phenyl Ether | 1-Phenoxyoctane | Ether

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488184942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184942
• Kanonisches Lächeln: CCCCCCCCOC1=CC=CC=C1
• IUPAC Name: octoxybenzene
• InChIKey: ZPIRTVJRHUMMOI-UHFFFAOYSA-N
• INCHI: 1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
• Isomere SMILES: CCCCCCCCOC1=CC=CC=C1
• Molekulargewicht: 206.33
• Beilstein: 6(4)560
• Reaxy-Rn: 1946788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.49
• Flammpunkt (°C): 109 °C
• Siedepunkt (°C): 134 °C/6 mmHg
• Molekulargewicht: 206.320 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 206.167 Da
• Monoisotopic Mass: 206.167 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 127.000
• 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