Chloroxylenol

Identification

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Name
Chloroxylenol
Accession Number
DB11121
Type
Small Molecule
Groups
Approved
Description

Chloroxylenol, or para-chloro-meta-xylenol (PCMX), is an antiseptic and disinfectant agent used for skin disinfection and surgical instruments. It is found in antibacterial soaps, wound-cleansing applications, and household antiseptics. The halophenol is shown to be most effective against Gram positive bacteria where it disrupts the cell wall due to its phenolic nature 1. Chloroxylenol is on the World Health Organization's List of Essential Medicines.

Structure
Thumb
Synonyms
  • 2-chloro-5-hydroxy-1,3-dimethylbenzene
  • 2-chloro-5-hydroxy-m-xylene
  • 2-Chloro-m-xylenol
  • 3,5-dimethyl-4-chlorophenol
  • 4-chloro-1-hydroxy-3,5-dimethylbenzene
  • 4-chloro-3,5-dimethylphenol
  • 4-chloro-m-xylenol
  • chloro-xylenol
  • Chloroxylenol
  • cloroxilenol
  • p-chloro-3,5-xylenol
  • p-chloro-m-xylenol
  • parachlorometaxylenol
  • PCMX
Active Moieties
NameKindUNIICASInChI Key
Phenolunknown339NCG44TV108-95-2ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
1012 AntimicrobialSoap3 mg/1mLTopicalABC Compounding Co., Inc.2013-05-01Not applicableUs
986 Antiseptic Hand Soap-lot 0.5%LotionTopicalFuller Brush/Les Brosses Fuller1994-12-311995-08-01Canada
ACQUAINT Antibacterial Foam HandwashLiquid.05 mg/1mLTopicalGOJO Industries, Inc.2019-06-15Not applicableUs
ACQUAINT Antibacterial Foam HandwashLiquid0.003 mg/1mLTopicalGOJO Industries, Inc.2004-09-09Not applicableUs
Acute Kare Hand Sp.Solution0.5 g/100mLTopicalDeb Canada2017-03-012017-03-01Us
Acute-Kare Healthcare Personnel HandwashSoap1 g/100mLTopicalSTERIS Corporation1995-01-17Not applicableUs
Acute-Kare Healthcare Personnel HandwashSoap1 g/100mLTopicalDeb Canada2018-02-01Not applicableUs
adriana GoldLiquid0.3 g/100mLTopicalOstl, Inc.2018-01-31Not applicableUs
ADVANTAGE CHEMICAL Premium Antibacterial Foaming Hand So apLiquid0.005 mg/1mLTopicalAdvantage Chemical, Inc.2015-04-15Not applicableUs
Aero CleansE2 AntibacterialLiquid2.1 mL/100mLTopicalDeb Canada2010-01-01Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
4246 First Aid KitChloroxylenol (0.1 g/100g) + Acetaminophen (325 mg/1) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzocaine (5 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (2 g/100g) + Lidocaine hydrochloride (24.64 mg/1mL) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4334 First Aid KitChloroxylenol (0.1 g/100g) + Acetaminophen (500 mg/1) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Ethanol (0.5 mL/1mL) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Lidocaine hydrochloride (2 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL)KitOralHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4357 First Aid KitChloroxylenol (0.1 g/100g) + Bacitracin zinc (400 [iU]/1g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (5 g/100g) + Benzocaine (10 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Levomenthol (0.33 g/100g) + Lidocaine hydrochloride (2 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4358 First Aid KitChloroxylenol (0.1 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4367 First Aid KitChloroxylenol (0.1 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
Absorbine Jr Extra Strength LinimentChloroxylenol (0.5 %) + Levomenthol (4.0 %)LiquidTopicalClarion Brands, Llc1992-12-31Not applicableCanada
Absorbine Jr LinimentChloroxylenol (0.5 %) + Levomenthol (1.25 %)LiquidTopicalClarion Brands, Llc1993-12-31Not applicableCanada
Absorbine Power GelChloroxylenol (.5 %) + Levomenthol (4 %)GelTopicalW.F. Young, Inc.1993-12-31Not applicableCanada
Acne Aid GelChloroxylenol (.375 %) + Octasulfur (2.5 %) + Resorcinol (1.25 %)GelTopicalStiefel Laboratories, Inc.1966-12-311998-07-09Canada
Acropole BleuChloroxylenol (.15 %) + Phenoxyethanol (.45 %)JellyTopicalGroupe Parall Inc1997-10-012001-07-23Canada
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
4246 First Aid KitChloroxylenol (0.1 g/100g) + Acetaminophen (325 mg/1) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzocaine (5 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (2 g/100g) + Lidocaine hydrochloride (24.64 mg/1mL) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4334 First Aid KitChloroxylenol (0.1 g/100g) + Acetaminophen (500 mg/1) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Ethanol (0.5 mL/1mL) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Lidocaine hydrochloride (2 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL)KitOralHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4357 First Aid KitChloroxylenol (0.1 g/100g) + Bacitracin zinc (400 [iU]/1g) + Benzethonium chloride (0.2 g/100g) + Benzocaine (5 g/100g) + Benzocaine (10 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Levomenthol (0.33 g/100g) + Lidocaine hydrochloride (2 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4358 First Aid KitChloroxylenol (0.1 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
4367 First Aid KitChloroxylenol (0.1 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (5 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)KitTopicalHoneywell Safety Products USA, Inc2018-10-18Not applicableUs
Antibacterial FoamChloroxylenol (5 mL/1000mL)SoapTopicalSanihealth Products Corporation2010-05-18Not applicableUs
Cortaine -B AqueousChloroxylenol (1 mg/1mL) + Hydrocortisone (10 mg/1mL) + Pramoxine hydrochloride (10 mg/1mL)Solution / dropsAuricular (otic)Physicians Total Care, Inc.2010-09-092013-01-15Us
Cortane-BChloroxylenol (1 mg/1mL) + Hydrocortisone (10 mg/1mL) + Pramoxine hydrochloride (10 mg/1mL)LotionTopicalBlansett Pharmacal Co2017-03-20Not applicableUs
Hydro EarChloroxylenol (1 mg/1mL) + Benzalkonium chloride (0.1 mg/1mL) + Hydrocortisone (10 mg/1mL) + Pramoxine hydrochloride (10 mg/1mL)Solution / dropsAuricular (otic)Hi Tech Pharmacal Co., Inc.2002-08-012011-10-27Us
MyOxinChloroxylenol (1 mg/1mL) + Benzocaine (15 mg/1mL) + Hydrocortisone acetate (10 mg/1mL)SolutionTopicalGM Pharamceuticals, Inc2011-08-012013-02-14Us
Categories
UNII
0F32U78V2Q
CAS number
88-04-0
Weight
Average: 156.61
Monoisotopic: 156.0341926
Chemical Formula
C8H9ClO
InChI Key
OSDLLIBGSJNGJE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
IUPAC Name
4-chloro-3,5-dimethylphenol
SMILES
CC1=CC(O)=CC(C)=C1Cl

Pharmacology

Indication

The predominant medical applications for which chloroxylenol is formally indicated for therapeutic use is as an application to the skin for use in cuts, bites, stings, abrasions, and for use as antiseptic hand cleaner 7.

Pharmacodynamics

Chloroxylenol is a substituted phenol which has been widely used for many years as an ingredient of antiseptic and disinfectant products intended for external use 9. It is known to be bactericidal in low concentration to a wide range of Gram positive and Gram negative bacteria 9.

Mechanism of action

As a phenol antiseptic, it is believed that the hydroxyl -OH groups of the chloroxylenol molecule binds to certain proteins on the cell membrane of bacteria, and disrupts the membrane so as to allow the contents of the bacterial cell to leak out 1. This allows chloroxylenol to enter the bacterial cell to bind further with more proteins and enzymes to disable the cell's functioning 1. At particularly high concentrations of chloroxylenol, the protein and nucleic acid content of targeted bacterial cells become coagulated and cease to function, leading to rapid cell death 1.

Additional Data Available
Adverse Effects

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Additional Data Available
Contraindications

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Blackbox Warnings

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Absorption

No chloroxylenol was detected in the blood following the dermal administration of 2 g of p-chloroxylenol in an ethanol/olive oil vehicle in human subjects 3. After a dose of 5 g, only traces were found, after 8 g, 1 mg % (1 mg/dL) was found in the blood after 3 hours, and 4 mg % (4 mg/dL) after 24 hours 3. After a dose of 20 g, 4 mg % (4 mg/dL) was measured after half an hour, and 1 mg % (1 mg/dL) was present at 72 hours 3.

For antiseptic purposes, chloroxylenol is considered to be well-absorbed when applied to the skin 9.

Volume of distribution

The only data available regarding the volume of distribution of chloroxylenol is the mean Vss of 22.45 L determined after 200 mg intravenous single dose of chloroxylenol was administered to healthy mongrel dog subjects 6,8.

Protein binding

One study determined the protein binding of chloroxylenol to be approximately 85.2% +/- 2.32% for serum albumin and 89.8% +/- 2.99% for whole human serum 2.

Metabolism

Certain animal studies have shown that following dermal application of chloroxylenol, that the absorption was rapid with a Cmax = 1-2 hours, and that the administered substance was excreted via the kidney with almost complete elimination within 24 hours 7. The primary metabolites discovered in the excreted urine were glucuronides and sulfates 7. Some chloroxylenol monographs liken its pharmacokinetic profile to that of another antiseptic - triclosan - which is rapidly excreted in the urine also as a glucuronide metabolite, as observed in the human model 7.

Moreover, In one human subject administered 5 mg intragluteally, 14% was excreted with glucuronic acid and 17% with sulfuric acid at 3 days 4.

Any chloroxylenol absorbed into the body is likely extensively metabolized by the liver and rapidly excreted, mainly in the urine, as sulphate and glucuronide conjugates 9.

Route of elimination

The major route of excretion is likely in urine 8,7, although some amounts may be found in bile and traces in exhaled air 6.

Half life

One study estimated the mean terminal half-life and mean residence time after a 200 mg intravenous single dose of chloroxylenol in healthy mongrel dog subjects to be 1.7 and 1.69 hours, respectively 6,8. Alternatively, some product monographs liken chloroxylenol to a similar liquid antiseptic, triclosan, whose calculated urinary excretion half-life in man is approximately 10 hours 7.

Clearance

The only data available regarding the clearance of chloroxylenol is the mean clearance rate of 13.76 L/hr following a 200 mg intravenous single dose of the substance into healthy mongrel dog subjects 6,8.

Moreover, in another study, when 8 g of chloroxylenol was administered dermal on a human subject in an alcohol/glycerin vehicle, 11% was excreted in 48 hours 4.

Toxicity

As chloroxylenol is predominantly employed as an active ingredient in various liquids or creams as cleaners, disinfectants, or antiseptics that are generally designed to be used topically, it is widely accepted that the use of such liquids - when used appropriately - is unlikely to present a sufficient volume that could be ingested to cause any medical problems 7. In the event of accidental eye contact, was with Luke warm water 7.

Chloroxylenol is known to have a low systemic toxicity, even at dosage levels many times higher that those likely to be absorbed during normal usage of the agent 9.

Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AbacavirAbacavir may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcarboseAcarbose may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AceclofenacAceclofenac may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcemetacinAcemetacin may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcetaminophenAcetaminophen may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcetazolamideAcetazolamide may increase the excretion rate of Chloroxylenol which could result in a lower serum level and potentially a reduction in efficacy.
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AclidiniumAclidinium may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcrivastineAcrivastine may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
AcyclovirAcyclovir may decrease the excretion rate of Chloroxylenol which could result in a higher serum level.
Additional Data Available
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    Extended Description

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  • Severity
    Severity

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Food Interactions
Not Available

References

General References
  1. McDonnell G, Russell AD: Antiseptics and disinfectants: activity, action, and resistance. Clin Microbiol Rev. 1999 Jan;12(1):147-79. [PubMed:9880479]
  2. Judis J: Binding of selected phenol derivatives to human serum proteins. J Pharm Sci. 1982 Oct;71(10):1145-7. [PubMed:7143213]
  3. ZONDEK B, FINKELSTEIN M: Blood concentration of P-chloro-xylenol in man following parenteral, percutaneous and rectal application. Proc Soc Exp Biol Med. 1946 Feb;61:200-2. [PubMed:21017619]
  4. Zondek B, Shapiro B: Fate of halogenated phenols in the organism. Biochem J. 1943;37(5):592-5. [PubMed:16747702]
  5. US EPA Reregistration Eligibility Decision (RED): Chloroxylenol [Link]
  6. Exponent FDA Consumer Antispetics Rule: FDA Request for Data on Safety and Efficacy of Chloroxylenol [Link]
  7. Electronic Medicines Compendium: Dettol (Chloroxylenol) Antiseptic Cream Monograph [Link]
  8. NLM Toxnet: Chloroxylenol [Link]
  9. Electronic Medicines Compendium: Dettol (chloroxylenol) Liquid Monograph [Link]
External Links
KEGG Drug
D03473
KEGG Compound
C14715
PubChem Compound
2723
PubChem Substance
347827904
ChemSpider
21106017
ChEBI
34393
ChEMBL
CHEMBL398440
Wikipedia
Chloroxylenol
ATC Codes
D08AE05 — Chloroxylenol
AHFS Codes
  • 84:04.92 — Miscellaneous Local Anti-infectives
MSDS
Download (47.9 KB)

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
KitTopical
KitOral
JellyTopical
SoapTopical1 g/100mL
LiquidTopical0.3 g/100mL
LiquidTopical2.1 mL/100mL
SoapTopical0.005 mL/1mL
LiquidTopical15 mg/1mL
SoapTopical15 g/1000mL
SolutionTopical1.5 g/100mL
LiquidTopical0.3 mg/1mL
LiquidTopical.3 mg/1mL
LiquidTopical0.5 %
LiquidTopical3.09 mg/1mL
LiquidTopical6.046 g/1L
SoapTopical40 g/1kg
SoapTopical.3 g/100g
SoapTopical5 mL/1000mL
LiquidTopical2.5 mg/1mL
SoapTopical2.5 mg/1mL
SoapTopical6.10 g/1L
SoapTopical4 g/1000mL
GelTopical10 mg/1mL
SoapTopical0.25 mg/100mL
GelTopical4 mL/800mL
LotionTopical3.6 mg/800mL
SoapTopical6.0 mg/1000mL
Liquid; soapTopical
SoapTopical0.45 g/100mL
OintmentTopical
LiquidTopical0.5 g/100mL
SoapTopical0.3 mg/100mL
SoapTopical25 g/100g
SolutionTopical30 mg/1mL
CreamTopical
SoapCutaneous0.1 g/100g
SoapTopical15 g/1L
SolutionTopical0.6 mg/100mL
SoapTopical10.1 mg/1mL
LiquidTopical0.507 g/100mL
SoapTopical5 mg/1mL
SoapTopical0.003 g/1mL
LotionTopical
LiquidTopical0.305 g/100mL
KitNasal
LiquidTopical5 mg/100mL
ShampooTopical
LiquidTopical4 mg/1mL
LiquidTopical0.95 g/100mL
SoapTopical0.002 g/1mL
SolutionTopical
SolutionTopical4.8 g/100mL
SolutionTopical0.6 mL/100mL
LiquidTopical3.09 1/1mL
LiquidTopical0.15 g/100mL
SpongeTopical
LiquidTopical1.1 %
SolutionTopical9 mg/1mL
SolutionTopical1.0 mg/100mL
SolutionTopical100 mg/1mL
SolutionTopical5.20 mg/1mL
LiquidTopical10 mg/1mL
SolutionTopical0.8 mg/100mL
SolutionTopical8 mg/1mL
Lotion; soapTopical
LiquidTopical15.75 g/1000mL
LiquidTopical
SolutionTopical2.5 mg/1mL
LiquidTopical7.5 mg/1mL
SoapTopical2.5 g/1000mL
SolutionTopical0.50 %
SoapTopical2 g/100L
SolutionTopical10 mg/1mL
Aerosol, foamTopical
SoapTopical2.5 mg/0.001L
LiquidTopical.05 mg/1mL
LiquidTopical0.3 %
SolutionTopical0.3 g/100mL
LiquidTopical0.663 g/221mL
LiquidTopical0.5 g/100g
LiquidTopical3.5 g/100mL
LiquidTopical0.003 mg/1mL
LiquidTopical0.50 g/100mL
LiquidTopical1.50 g/100mL
LotionTopical10.22 g/1000mL
Solution / dropsAuricular (otic)
LiquidTopical; Vaginal
GelTopical5 mg/1mL
SoapTopical3 g/1000mL
SoapTopical3 mg/1mL
SoapTopical0.75 g/100mL
SolutionTopical1.75 %
SolutionTopical17.5 g/1L
SolutionTopical0.0175 L/1L
SolutionTopical0.0175 g/1mL
Aerosol, foamTopical0.005 g/1mL
LiquidTopical10.22 g/1000mL
GelTopical0.05 g/59g
SolutionTopical0.5 mg/100mL
LiquidTopical3 mg/1mL
SoapTopical10.11 g/1L
SoapTopical0.1 g/1L
LiquidTopical5 mg/1mL
GelTopical0.95 g/1g
LiquidTopical6 mg/1mL
SoapTopical0.95 g/100mL
SolutionTopical6.12 mg/1mL
SwabTopical
LiquidTopical0.30 g/100g
SolutionTopical
LiquidAuricular (otic)
ClothTopical
SoapTopical25 g/1000mL
SpongeTopical33 mg/1mL
SpongeTopical40 mg/1mL
SoapTopical0.005 g/1mL
SoapTopical0.1 g/100g
LiquidTopical0.6657 mg/221.8mL
LiquidTopical0.30 kg/100kg
SolutionTopical6 mg/1mL
SoapTopical0.3 g/100mL
LiquidTopical0.5 mL/100mL
SolutionTopical5 mg/1mL
SolutionTopical5.2 mg/1mL
SolutionTopical5.25 mg/1mL
LiquidTopical0.005 mg/1mL
SoapTopical6 mg/1mL
LiquidTopical2.949 g/100mL
LiquidTopical3 %
LiquidTopical3 mL/100mL
LiquidTopical0.8 mL/100mL
LotionTopical0.08 mg/100mL
OintmentTopical
SoapTopical30 mg/10mL
LiquidTopical5 g/1L
SoapTopical5 g/1000mL
LiquidTopical0.01 mg/1mL
SoapTopical4 mg/1mL
LiquidTopical0.5 mg/100mL
LiquidTopical0.1 g/100mL
SoapTopical10 mg/1mL
LiquidTopical0.0060 mg/1mL
LiquidTopical0.0060 g/1mL
CreamTopical
SolutionTopical0.5 g/100mL
SolutionTopical0.5 %
SolutionTopical1.25 g/100mL
SolutionTopical33 mg/1mL
SolutionTopical40 mg/1mL
SolutionTopical3.3 mg/100mL
SolutionTopical4 mg/100mL
Aerosol, foamTopical.5 mL/100mL
LotionTopical
LiquidTopical0.6 g/100mL
LiquidTopical0.05 g/100mL
Aerosol, foamTopical5 mg/1mL
SoapTopical0.33 mg/1000mL
AerosolTopical
SolutionTopical3.82 g/100mL
LiquidTopical0.3 mL/100mL
LiquidTopical1 g/100mL
LiquidTopical1 %
SolutionTopical1 g/100mL
SolutionTopical10 g/1L
SoapTopical0.001 mg/100mL
LiquidTopical12.604 g/100mL
LiquidTopical10 g/1000mL
SoapTopical
GelTopical
SoapTopical
SoapTopical2.75 g/100mL
LiquidTopical2.75 g/100mL
LiquidTopical0.3 kg/100kg
SoapTopical3.75 mg/1mL
SoapTopical0.75 g/100g
SoapTopical3.6 g/1mL
LiquidTopical3.09 g/1mL
LiquidTopical3.06 mg/1mL
GelTopical
GelTopical0.52 g/100mL
ClothTopical0.5 g/100g
LiquidTopical
SoapTopical1 g/100g
SoapTopical7.5 mg/1mL
SoapTopical5.0 mg/1mL
LiquidTopical2081980 mg/208198mL
LiquidTopical0.03 g/10mL
LiquidTopical0.04 g/10mL
LiquidTopical0.04 g/10L
LiquidTopical0.3 g/10mL
Liquid; shampooTopical
Prices
Not Available
Patents
Not Available

Properties

State
Liquid
Experimental Properties
PropertyValueSource
melting point (°C)112-116 degrees CelsiusMSDS
boiling point (°C)246 degrees CelsiusMSDS
water solubility0.03 g/100ml at 15 degrees Celsius, 0.5 g/100ml at 100 degrees CelsiusMSDS
Predicted Properties
PropertyValueSource
Water Solubility0.855 mg/mLALOGPS
logP3.14ALOGPS
logP3.3ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)9.21ChemAxon
pKa (Strongest Basic)-6.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity42.93 m3·mol-1ChemAxon
Polarizability16.04 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Mass Spectrum (Electron Ionization)MSsplash10-05fu-9500000000-8bba3165beb98d883986
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
Cresols
Direct Parent
Meta cresols
Alternative Parents
m-Xylenes / P-chlorophenols / Chlorobenzenes / 1-hydroxy-2-unsubstituted benzenoids / Aryl chlorides / Organooxygen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
M-xylene / Xylene / 4-chlorophenol / M-cresol / 4-halophenol / 1-hydroxy-2-unsubstituted benzenoid / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
phenols, monochlorobenzenes (CHEBI:34393)

Drug created on December 03, 2015 09:51 / Updated on September 23, 2019 04:11