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

CAS: 1818-07-1 Cat. No.: I134330 Formula: C₁₄H₂₂O Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488184942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184942
• Sorrisi canonici: 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
• Isomeri SMILES: CCCCCCCCOC1=CC=CC=C1
• Peso molecolare: 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
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.49
• Punto di infiammabilità (°C): 109 °C
• Punto di ebollizione (°C): 134 °C/6 mmHg
• Peso molecolare: 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