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Identification
NamePhenol
Accession NumberDB03255  (EXPT01917)
TypeSmall Molecule
GroupsApproved, Experimental
Description

Phenol is an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. Phenol has been used to disinfect skin and to relieve itching. Phenol is also used as an oral analgesic or anesthetic in products such as Chloraseptic to treat pharyngitis. Additionally, phenol and its related compounds are used in surgical ingrown toenail treatment, a process termed phenolization. Research indicates that parental exposure to phenol and its related compounds are positively associated with spontaneous abortion. During the second world war, phenol injections were used as a means of execution by the Nazis. Phenol is a toxic compound whose vapours are corrosive to the skin, eyes, and respiratory tract.

Structure
Thumb
Synonyms
SynonymLanguageCode
Acide carboliqueNot AvailableNot Available
Acide pheniqueNot AvailableNot Available
BenzenolNot AvailableNot Available
Carbolic acidNot AvailableNot Available
CarbolsaeureNot AvailableNot Available
HydroxybenzeneNot AvailableNot Available
KarbolsaeureNot AvailableNot Available
MonohydroxybenzeneNot AvailableNot Available
OxybenzeneNot AvailableNot Available
Phenic AcidNot AvailableNot Available
PhenolNot AvailableNot Available
Phenyl alcoholNot AvailableNot Available
Phenyl hydroxideNot AvailableNot Available
Phenylic AcidNot AvailableNot Available
Phenylic alcoholNot AvailableNot Available
PHOHNot AvailableNot Available
Prescription ProductsNot Available
Generic Prescription ProductsNot Available
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Good Sense Sore Throatspray1.4 g/100mLoralL Perrigo Company1993-01-06Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat cherryspray1.4 g/100mLoralWalgreens2014-08-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Oral Reliefspray1.4 g/100mLoralWalgreens2012-02-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paintliquid15 mg/mLtopicalPedinol Pharmacal, Inc.1972-01-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paintliquid15 mg/mLtopicalPedinol Pharmacal, Inc.1972-01-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryliquid1.5 g/100mLoralSelect Brand2009-06-17Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Sprayspray1.4 mL/100mLoralSafeway1993-08-11Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 g/100mLoralSafeway, Inc.2014-11-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Good Neighbor Pharmacy Sore Throatspray1.4 mL/100mLoralAmerisource Bergen1994-01-03Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Good Neighbor Pharmacy Sore Throatspray1.4 mL/100mLoralAmerisource Bergen1993-04-09Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat sprayspray10.628 mg/100mLoralKroger Company1993-01-21Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.5 g/100mLoralTOP CARE (Topco Associates LLC)2014-10-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Topcare Sore Throatspray1.4 g/100mLoralTopco Associates LLC1992-11-17Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Topcare Sore Throatspray1.4 mL/100mLoralTopco Associates LLC1993-01-19Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Leader Sore Throatspray1.4 mL/100mLoralCardinal Health2000-11-04Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Leader Sore Throatspray10.628 mg/100mLoralCardinal Health2000-11-07Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 mL/100mLoralH E B1994-10-12Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Rx Act Sore Throatspray1.4 mL/100mLoralH E B1994-10-25Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Equaline Sore Throatspray1.4 g/100mLoralSupervalu Inc2004-08-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralMEIJER, INC.2014-05-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 mg/100mLoralMeijer Distribution Inc1993-09-03Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralCare One (American Sales Company)2014-06-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Care One Sore Throatspray1.4 g/100mLoralAmerican Sales Company2003-11-19Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholspray1.4 g/100mLoralCare One (American Sales Company)2014-05-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 g/100mLoralHy Vee Inc1992-11-19Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Phenolspray1.4 mL/100mLoralPerrigo New York Inc2011-06-29Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Phenolspray1.4 g/100mLoralPerrigo New York Inc2010-12-09Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralAmerisource Bergen (Good Neighbor Pharmacy) 461222014-07-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholliquid1.4 g/100mLoralAmerisource Bergen (Good Neighbor Pharmacy) 461222014-08-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Equate Sore Throatspray1.4 g/100mLoralWal Mart Stores Inc2005-06-28Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 g/100mLoralEQUATE (Walmart Stores, Inc.)2014-07-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sunmark Sore Throatspray1.4 mL/100mLoralMc Kesson2003-07-10Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sunmark Sore Throatspray1.4 mL/100mLoralMc Kesson2003-09-14Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralMc Kesson (Sunmark)2014-09-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat ReadyInCasespray1.4 g/100mLoralAaron Industries Inc.2014-11-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Spray Cherryliquid1.5 g/100mLoralAaron Industries, Inc.2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Phenolliquid1.5 g/100mLoralAaron Industries, Inc.2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Smart Sense Sore Throatspray1.4 g/100mLoralKmart Corporation2010-12-16Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralSMART SENSE (Kmart)2014-11-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralCardinal Health (Leader) 497812014-07-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.5 g/100mLoralGood Sense (Geiss, Destin & Dunn, Inc.)2014-09-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.5 g/100mLoralGood Sense (Geiss, Destin & Dunn, Inc.)2014-09-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Aseptil Rojoliquid1 mg/mLoralMenper Distributors, Inc.2012-02-21Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paint 1.5%liquid15 mg/mLtopicalThe Podiatree Company2013-07-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paint 1.5%liquid15 mg/mLtopicalThe Podiatree Company2013-07-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paintliquid15 mg/mLtopicalPhysicians Total Care, Inc.2008-05-15Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Throat Reliefspray10.628 mg/100mLoralWestern Family Foods Inc1999-04-07Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Reliefliquid1.4 g/100mLoralWestern Family Foods, Inc.2014-06-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Reliefliquid1.4 g/100mLoralWestern Family Foods, Inc.2014-06-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Healthy Accents Sore Throatspray1.4 mL/100mLoralDZA Brands LLC2008-02-18Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralFamily Dollar (FAMILY WELLNESS)2014-06-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryliquid1.5 g/100mLoralFamily Dollar2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Dg Health Sore Throatspray1.4 g/100mLoralDolgencorp, LLC2010-01-17Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralPublix Supermarkets, Inc.2014-09-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholspray1.4 g/100mLoralPublix Supermarkets, Inc.2014-09-30Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Castellani Paintliquid15 mg/mLtopicalStratus Pharamceuticals2014-04-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Sprayspray10.268 mg/100mLoralCVS Pharmacy2005-06-06Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 g/100mLoralPreferred Plus (Kinray)2014-10-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throatspray1.4 g/100mLoralPreferred Plus (Kinray)2014-10-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryliquid1.5 g/100mLoralHealth Mart2012-01-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralMc Kesson (Health Mart)2014-07-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Cepastat Cherrylozenge14.5 mgoralInsight Pharmaceuticals2009-06-29Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Cepastat Extra Strengthlozenge29 mgoralInsight Pharmaceuticals2009-07-07Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryliquid1.5 g/100mLoralKinray, Inc2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholliquid1.5 g/100mLoralKinray, Inc2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryspray1.4 g/100mLoralQUALITY CHOICE (Chain Drug Marketing Association)2014-08-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholliquid1.4 g/100mLoralQUALITY CHOICE (Chain Drug Marketing Association)2014-08-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Cherryliquid1.5 g/100mLoralBest Choice2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Mentholliquid1.5 g/100mLoralBest Choice (Valu Merchandisers Company)2009-08-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Relief Cherryspray1.4 g/100mLoralBest Choice (Valu Merchandisers Company)2014-08-29Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Sore Throat Reliefspray1.4 g/100mLoralWin Co Foods, Llc2014-12-31Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Chloraseptic Sore Throat Cherryspray3.5 mg/.7mLoralPrestige Brands Holdings, Inc.2010-09-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Chloraseptic Sore Throat Citrusspray3.5 mg/.7mLoralPrestige Brands Holdings, Inc.2010-09-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Chloraseptic Sore Throat Mentholspray3.5 mg/.7mLoralPrestige Brands Holdings, Inc.2010-09-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Chloraseptic Warming Sore Throatspray3.5 mg/.7mLoralPrestige Brands Holdings, Inc.2012-07-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
Chloraseptic Sore Throatspray3.5 mg/.7mLoralPrestige Brands Holdings, Inc.2010-09-01Not AvailableUs 0a2ef1ad1c84951dc1392a8bbe1f3cb241c91ed59e44ad8268635315440d978c
International BrandsNot Available
Brand mixtures
Brand NameIngredients
Blistex Lip dimethicone, camphor, menthol, phenol
CHAPSTICK MEDICATEDcamphor, menthol, petrolatum, phenol
GermolenePhenol and Chlorhexidine
Murakami CamphenicPhenol and Camphor
OzonolPhenol and Zinc Oxide
SaltsNot Available
Categories
CAS number108-95-2
WeightAverage: 94.1112
Monoisotopic: 94.041864814
Chemical FormulaC6H6O
InChI KeyISWSIDIOOBJBQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC Name
phenol
SMILES
OC1=CC=CC=C1
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenols and derivatives
Direct ParentPhenols and derivatives
Alternative Parents
Substituents
  • Phenol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Pharmacology
IndicationPhenol is primarily indicated for minor sore throat pain, sore mouth, minor mouth irritation, and pain associated with canker sores. Additionally, phenol is indicated in the treatment of focal spasticity.
PharmacodynamicsNot Available
Mechanism of actionPhenol is a potent proteolytic agent. Concentrations in the 5% to 7% range dissolve tissue on contact via proteolysis. In high concentrations when injected next to a nerve, phenol produces a chemical neurolysis which is nonselective across nerve fiber size and most prominent on its outer aspect. Local anesthetic effects occur within 5-10 minutes.
AbsorptionPhenol is rapidly absorbed through the skin and into the lungs.
Volume of distribution

At I5 min after exposure, the liver contained the highest level of phenol, consisting mainly of free phenol. After 82 minutes post administration, phenol is uniformly distributed in the liver, blood, kidneys, lungs, along with the heart, testes, thymus and the spleen. With the passage of time, the proportion of free to conjugated phenol changed. By 360 minutes most phenol appears in conjugated forms.

Protein bindingNot Available
Metabolism

Phenyl sulfate, phenyl glucuronide, quinol sulfate, and quinol glucuronide were detected in human beings as phenol metabolites.

Route of eliminationThe kidney is the primary route of elimination of phenol.
Half lifeNot Available
Clearance

In rabbits, 72% is excreted in the urine, 1% in the feces, 4% in the carcass following sacrifice, and trace amounts were exhaled.

ToxicityMouse, Subcutaneous, LD50: 0.3-0.35 g/kg. (Duplay and Cazin, 1891; Tollens, 1905). Rat, Subcutaneous, LD50: 0.45. (Deichmann and Witherup, 1944). Rat, Oral, LD50: 0.53. (Deichmann and Witherup, 1944). Rat, Oral, LD50: 0.65. (Flickinger, 1976). Rat, Cutaneous, LD50: 0.67. (Conning and Hayes, 1970).
Affected organisms
  • Humans and other mammals
Pathways
PathwayCategorySMPDB ID
Sulfate/Sulfite MetabolismMetabolicSMP00041
Sulfite oxidase deficiencyDiseaseSMP00532
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9931
Blood Brain Barrier+0.9076
Caco-2 permeable+0.9326
P-glycoprotein substrateNon-substrate0.8082
P-glycoprotein inhibitor INon-inhibitor0.979
P-glycoprotein inhibitor IINon-inhibitor0.9917
Renal organic cation transporterNon-inhibitor0.8704
CYP450 2C9 substrateNon-substrate0.7898
CYP450 2D6 substrateNon-substrate0.9116
CYP450 3A4 substrateNon-substrate0.7558
CYP450 1A2 substrateNon-inhibitor0.6114
CYP450 2C9 substrateNon-inhibitor0.9654
CYP450 2D6 substrateNon-inhibitor0.9746
CYP450 2C19 substrateNon-inhibitor0.8981
CYP450 3A4 substrateNon-inhibitor0.9523
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8695
Ames testNon AMES toxic0.9454
CarcinogenicityNon-carcinogens0.7594
BiodegradationReady biodegradable0.7488
Rat acute toxicity2.5044 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8468
hERG inhibition (predictor II)Non-inhibitor0.9666
Pharmacoeconomics
ManufacturersNot Available
Packagers
Dosage forms
FormRouteStrength
Liquidoral1 mg/mL
Liquidoral1.4 g/100mL
Liquidoral1.5 g/100mL
Liquidtopical15 mg/mL
Lozengeoral14.5 mg
Lozengeoral29 mg
Sprayoral1.4 g/100mL
Sprayoral1.4 mg/100mL
Sprayoral1.4 mL/100mL
Sprayoral1.5 g/100mL
Sprayoral10.268 mg/100mL
Sprayoral10.628 mg/100mL
Sprayoral3.5 mg/.7mL
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental Properties
PropertyValueSource
melting point40.9 °CPhysProp
boiling point181.8 °CPhysProp
water solubility8.28E+004 mg/L (at 25 °C)SOUTHWORTH,GR & KELLER,JL (1986)
logP1.46HANSCH,C ET AL. (1995)
logS0ADME Research, USCD
pKa9.99 (at 25 °C)SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
PropertyValueSource
Water Solubility46.6 mg/mLALOGPS
logP1.39ALOGPS
logP1.67ChemAxon
logS-0.31ALOGPS
pKa (Strongest Acidic)10.02ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity28.04 m3·mol-1ChemAxon
Polarizability9.81 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Download (8.52 KB)
SpectraGC-MSMS/MSMS1D NMR2D NMR
References
Synthesis Reference

http://en.wikipedia.org/wiki/Phenols#Synthesis_of_phenols

General Reference
  1. Chen X, Chen M, Xu B, Tang R, Han X, Qin Y, Xu B, Hang B, Mao Z, Huo W, Xia Y, Xu Z, Wang X: Parental phenols exposure and spontaneous abortion in Chinese population residing in the middle and lower reaches of the Yangtze River. Chemosphere. 2013 May 25. pii: S0045-6535(13)00665-6. doi: 10.1016/j.chemosphere.2013.04.067. Pubmed
  2. H. Babich, D.L. Davis, Phenol: A review of environmental and health risks. Regulatory Toxicology and Pharmacology, Volume 1, Issue 1, June 1981, Pages 90–109.
  3. Gracies JM, Elovic E, McGuire J, Simpson DM: Traditional pharmacological treatments for spasticity. Part I: Local treatments. Muscle Nerve Suppl. 1997;6:S61-91. Pubmed
External Links
ATC CodesC05BB05D08AE03N01BX03R02AA19
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSDownload (51.6 KB)
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Thermolysin

Kind: protein

Organism: Geobacillus stearothermophilus

Pharmacological action: unknown

Components

Name UniProt ID Details
Thermolysin P43133 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

2. Lysozyme

Kind: protein

Organism: Enterobacteria phage T4

Pharmacological action: unknown

Components

Name UniProt ID Details
Lysozyme P00720 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

3. Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase

Kind: protein

Organism: Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)

Pharmacological action: unknown

Components

Name UniProt ID Details
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:20