Formula of Phenol (C6H6O)

Chemical Formula Description

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Additional Information for Identifying Phenol Molecule

• Structure Data File (SDF/MOL File) of phenol

  The structure data file (SDF/MOL File) of phenol is available for download in the SDF page of phenol providing the information about the atoms, bonds, connectivity and coordinates of phenol, which is not completely available in the chemical formula representation. The phenol structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

• Chemical structure of phenol

  The chemical structure image of phenol is available in chemical structure page of phenol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of phenol and the chemical bonds that hold the atoms together.

• Molecular weight of phenol

  The molecular weight of phenol is available in molecular weight page of phenol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of phenol.

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• InChI (IUPAC International Chemical Identifier) information of phenol

  The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of phenol is:

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

  It can provide a standard way to encode the molecular information of phenol to facilitate the search for the compound information in databases and on the web.
  
  

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of phenol is:

  InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for phenol, but it needs to be linked to the full InChI to get back to the original structure of the phenol since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of phenol

  The phenol compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of phenol including the registry numbers is given below, if available:

  • BBV-46883725
  • Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)
  • Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene
  • Phenol solution, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, BioReagent, for molecular biology
  • Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology
  • 8002-07-1
  • 50356-25-7
  • 14534-23-7
  • Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC)
  • Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%

  • Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard
  • Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%
  • Phenol, pharmaceutical secondary standard; traceable to USP and PhEur
  • Phenol solution, certified reference material, 500 mug/mL in methanol
  • Phenol solution, 5000 mug/mL in methanol, certified reference material
  • Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T)
  • Liquified Phenol, meets USP testing specifications, >=89.0%
  • Phenol, United States Pharmacopeia (USP) Reference Standard
  • Phenol, BioUltra, for molecular biology, >=99.5% (GC)
  • p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g)

  • Phenol, unstabilized, purified by redistillation, >=99%
  • F1908-0106
  • I14-62966
  • Phenol, for molecular biology, ~90% (T), liquid
  • J-610001
  • I01-9247
  • 1,3-Butadiene,2-methyl-,homopolymer,phenol-modified
  • Phenol, >=96.0% (calc. on dry substance, T)
  • Phenol, p.a., ACS reagent, 99.5-100.5%
  • Phenol, unstabilized, ReagentPlus(R), >=99%

  • D00033
  • Phenol stock solution, 100 mg/dL, standard
  • P1610
  • H2391
  • Phenol, PESTANAL(R), analytical standard
  • GOOD NEIGHBOR PHARMACY SORE THROAT
  • 73607-76-8
  • 68071-29-4
  • 65996-83-0
  • 63496-48-0

  • 61788-41-8
  • Phenol, JIS special grade, >=99.0%
  • Phenol, detached crystals, 99% 100g
  • Phenol, BP grade 80% aqueous solution
  • UN 2821
  • UN 2312
  • UN 1671
  • RTR-002010
  • Phenol, SAJ first grade, >=98.0%
  • Phenol, BioXtra, >=99.5% (GC)

  • Phenol solutions [UN2821] [Poison]
  • NA 2821
  • Sterile Diluent for Allergenic Extract
  • Phenol, molten [UN2312] [Poison]
  • Eos Medicated Pain Relieving Lip Balm
  • Phenol, solid [UN1671] [Poison]
  • MFCD03703209
  • ANW-15995
  • MODIFIED POLYPHENYLENE ETHER
  • 139-02-6 (hydrochloride salt)

  • LTBB002354
  • HEALTHY ACCENTS SORE THROAT
  • 3f39
  • Sore Throat Relief Cherry Flavor
  • Phenolated water for disinfection
  • Phenol for disinfection (JP17)
  • HMDB00228
  • BDBM26187
  • Phenol, AR, >=99.5%
  • Chloraseptic Sore Throat Menthol

  • Cuticura pain relieving ointment
  • phenylic acid, phenyl hydroxide
  • Chloraseptic Sore Throat Citrus
  • Chloraseptic Sore Throat Cherry
  • 339NCG44TV
  • Phenol, 90% aqueous solution
  • CHLORASEPTIC SORE THROAT
  • Phenol, natural, 97%, FG
  • Phenol for disinfection (TN)
  • CEPASTAT EXTRA STRENGTH

  • BIDD:ER0293
  • Phenol, for molecular biology
  • PHENYL, 4-HYDROXY-
  • PHENYL, 2-HYDROXY-
  • Phenol, LR, >=99%
  • PHENOL, 80% in ethanol
  • CARE ONE SORE THROAT
  • EQUALINE SORE THROAT
  • Sore Throat Relief Menthol
  • Fenol(DUTCH, POLISH)

  • bmse010026
  • bmse000290
  • Liquefied phenol (JP17)
  • Sore Throat Relief Cherry
  • PHENOL- D6
  • Phenol, >=99%
  • Sore Throat Spray Cherry
  • Phenol, detached crystals
  • Phenol (JP17/USP)
  • Castellani Paint 1.5%

  • Smart Sense Sore Throat
  • PHENOL, ACS
  • Liquefied phenol (TN)
  • Good Sense Sore Throat
  • 4i7l
  • 1li2
  • 1ai7
  • Sore Throat Readyincase
  • PHENOL REAGE NT
  • Dg Health Sore Throat

  • PHENOL REAGENT
  • Phenol, polymer-bound
  • Carbolic acid, liquid
  • Phenol, ACS reagent
  • Rx Act Sore Throat
  • Phenol 6%
  • Phenol (TN)
  • Phenol polymer-bound
  • Carbolic acid liquid
  • Topcare Sore Throat

  • Sunmark Sore Throat
  • Sore Throat Menthol
  • Paoscle (TN)
  • Liquefied phenol BP
  • Sore Throat Cherry
  • Pain A Lay
  • Leader Sore Throat
  • Equate Sore Throat
  • Sore Throat Spray
  • Phenol, ultrapure

  • Phenol, synthetic
  • Phenol (liquid)
  • Phenol, labeled with carbon-14
  • Phenol,industrial
  • Cepastat lozenges
  • Carbolicum acidum
  • Sore Throat
  • Oral Relief
  • Liver Supplement
  • Liquified Phenol

  • Castellani Paint
  • Pandy's reagent
  • Throat Relief
  • Phenolated water
  • Phenol synthetic
  • Phenol solutions
  • monophenyl ether
  • Cepastat Cherry
  • Aseptil rojo
  • Phenol molten

  • Phenol liquid
  • Phenol solution
  • Hydroxy-benzene
  • acide phenique
  • Phylorinol
  • Phenolcrude
  • Karbolsaeure
  • Carbolsaeure
  • Benzophenol
  • C6H6O

  • phenylalcohol
  • hydroxybenzend
  • benzenod
  • Phenol [USP:JAN]
  • (14C)Phenol
  • CAS-108-95-2
  • 84650-60-2
  • Phenol, sulfurated
  • IPH
  • 27073-41-2

  • Phenol, >=99.0%
  • PHENOL, ULTRA PURE
  • Phenol solutions [UN2821] [Poison]
  • Phenol, molten [UN2312] [Poison]
  • Phenol, solid [UN1671] [Poison]
  • Hydroxybenzene solution
  • MFCD00002143
  • Phenol (or solutions with 5% or more phenol)
  • EPA Pesticide Chemical Code 064001
  • FEMA No. 3223

  • Baker's p and s
  • RCRA waste no. U188
  • Phenol, solid
  • Phenol, liquid
  • Synthetic phenol
  • Liquefied phenol
  • Phenic alcohol
  • Campho-Phenique Cold Sore Gel
  • Caswell No. 649
  • Phenol [JAN]

  • UN 1671 (solid)
  • Acide carbolique [French]
  • UN 2312 (molten)
  • Un 2812 (solution)
  • Monohydroxy benzene
  • Baker's P and S Liquid and Ointment
  • Fenol [Dutch, Polish]
  • Baker's P & S liquid & Ointment
  • Phenol, molten
  • Campho-Phenique Liquid

  • Carbolsaure [German]
  • Phenic
  • Campho-Phenique Gel
  • Rcra waste number U188
  • Benzene, hydroxy-
  • Phenole [German]
  • Fenolo [Italian]
  • Phenol homopolymer
  • Phenol, pure
  • TEA polyphenol

  • Carbolic oil
  • Liquid phenol
  • Fenol
  • Phenosmolin
  • Fenosmoline
  • Fenosmolin
  • Carbolsaure
  • Fenolo
  • Acide carbolique
  • Phenole

  • Phenol, liquefied
  • PhOH
  • Phenol alcohol
  • Izal
  • Paoscle
  • Monohydroxybenzene
  • Phenyl alcohol
  • Phenylic alcohol
  • Phenyl hydroxide
  • Monophenol

  • Phenyl hydrate
  • Benzenol
  • Oxybenzene
  • Phenylic acid
  • Phenic acid
  • 108-95-2
  • Hydroxybenzene
  • carbolic acid

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Phenol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of phenol?
C6H6O
How many atoms and what are they in the phenol structure?
13 atom(s) - 6 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what are they in the phenol structure?
13 bond(s) - 7 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s)
What’s the molecular weight of phenol?
94.11124 g/mol
What’s the SMILES string of phenol?
Oc1ccccc1
What’s the InChI of phenol?
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
What’s the InChIKey of phenol?
ISWSIDIOOBJBQZ-UHFFFAOYSA-N

7338 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).