6-Phenyl-1-hexanol - ≥98% , CAS No.2430-16-2

CAS: 2430-16-2 Cat. No.: P351718 Summenformel: C₁₂H₁₈O Molekulargewicht: 178.27 EG-Nummer: 626-069-2 PubChem CID: 520110

GRADE & PURITY ≥98%

Synonyms

6-Phenyl-n-hexanol | 6-Phenylhexanol | AKOS009157099 | DTXSID50179033 | FT-0621302 | A817202 | Benzenehexanol | 6-Phenyl-1-hexanol | 6-Phenyl hexanol-1 | SCHEMBL95368 | 6-Phenyl-1-hexanol, 97% | 6-phenyl-hexan-1-ol | 6-phenylhexan-1-ol | F87418 | CHEMBL37

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

6-Phenyl-n-hexanol | 6-Phenylhexanol | AKOS009157099 | DTXSID50179033 | FT-0621302 | A817202 | Benzenehexanol | 6-Phenyl-1-hexanol | 6-Phenyl hexanol-1 | SCHEMBL95368 | 6-Phenyl-1-hexanol, 97% | 6-phenyl-hexan-1-ol | 6-phenylhexan-1-ol | F87418 | CHEMBL37

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528762593

Kanonisches Lächeln

C1=CC=C(C=C1)CCCCCCO

IUPAC Name

6-phenylhexan-1-ol

InChIKey

FDXBUMXUJRZANT-UHFFFAOYSA-N

INCHI

1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2

Isomere SMILES

C1=CC=C(C=C1)CCCCCCO

PubChem CID

520110

Molekulargewicht

178.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Benzene and substituted derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fatty alcohol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 154-155° C (lit.) at 11 mmHg
• Molekulargewicht: 178.270 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 178.136 Da
• Monoisotopic Mass: 178.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 106.000
• 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