Phenol

Phenol bmse000290 - Data bmse010026 - Data bmst000281 - Theory

Phenol synonyms

Phenic acid; Phenyl hydrate; Phenol, liquefied; Carbolic acid; Acide carbolique [French]; Carbolsaure [German]; Campho-Phenique Liquid; Campho-Phenique Gel; Phenole [German]; PHENOL; Phenol, molten [UN2312] [Poison]

Wikipedia:

Graphical representations:

Phenol

View large 3D structure

Molecular Formula: C6H6O

Natural Isotopic Abundance Mass: 94.1112400000

Mono-Isotopic Molecular Masses:

  • C12N14: 94.0418648147
  • C13N14: 100.061993841
  • C12N15: 94.0418648147
  • C13N15: 100.061993841

InChI string: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

IUPAC: phenol

PubChem Compound (CID): 996
KEGG Compound ID: C00146
ChemIDplus: 000108952
CAS Registry number: 50356-25-7 8002-07-1 108-95-2 14534-23-7 139-02-6
EINECS: 203-632-7
Caswell No.: 649
CCRIS: 504
EPA Pesticide Chemical Code: 064001
HSDB: 113
FEMA No.: 3223
PDB Compound ID: IPH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)