Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H10ClO.Na |
Molecular Weight | 240.661 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[O-]C1=C(CC2=CC=CC=C2)C=C(Cl)C=C1
InChI
InChIKey=IKTQYDFRYXBKPM-UHFFFAOYSA-M
InChI=1S/C13H11ClO.Na/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10;/h1-7,9,15H,8H2;/q;+1/p-1
Molecular Formula | C13H10ClO |
Molecular Weight | 217.671 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: http://www.ncbi.nlm.nih.gov/pubmed/15162836
Sources: http://www.ncbi.nlm.nih.gov/pubmed/15162836
Chlorophene is a halogenated phenolic compound that functions as a biocide and preservative in cosmetics. In Europe, the maximum authorized concentration allowed for Chlorophene is 0.2%. The glucuronic acid conjugate, the sulfate ester conjugate, and two other minor metabolites of Chlorophene were profiled in rat urine during pharmacokinetic tests. Chlorophene is incompletely absorbed through rat skin. In several anumal species these chemicals exhibited low oral toxicity. Some evidence of toxicity was found in short-term oral toxicity studies in mice and rats with nephropathy as the principal finding. Rats and mice dosed with Chlorophene for 2 years had a dose-related and sex-related increase in the severity of nephropathy. In another set of animal tests Chlorophene was found to be an ocular irritant. There was no readily available inhalation profile for Chlorophene. Chlorophene was severely irritating to rabbits in most dermal irritation studies. Chlorophene was found to be mutagenic in four in-vitro mammalian test systems. However, neoplasms were not observed in rats treated with Chlorophene for 2 years but, in mice treated similarly a significant incidence of neoplasms was observed. A 1-year National Toxicology Program (NTP) study concluded that Chlorophene was a cutaneous irritant and a weak skin tumor promoter but had no activity as an initiator or complete carcinogen. Some reactions to Chlorophene occurred in some, but not all, clinical dermal sensitization tests.
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Disposition of o-benzyl-p-chlorophenol in male rats. | 1986 |
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Prechronic toxicity of o-benzyl-p-chlorophenol in rats and mice. | 1986 Nov |
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Contact hypersensitivity response to o-benzyl-p-chlorophenol in mice. | 1991 |
|
Chronic nephropathy and renal carcinogenicity of o-benzyl-p-chlorophenol in F344/N rats and B6C3F1 mice. | 1995 Sep |
|
Determination of phenolic disinfectant agents in commercial formulations by liquid chromatography. | 2001 May-Jun |
|
In vitro cytotoxicity assessment of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol using established fish cell lines. | 2006 Oct |
|
Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography. | 2008 Oct |
|
Single-laboratory validation of a method for the determination of phenols and phenates in disinfectant formulations by liquid chromatography with UV detection. | 2010 May-Jun |
|
Activity profiles of 309 ToxCastâ„¢ chemicals evaluated across 292 biochemical targets. | 2011 Mar 28 |
Patents
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:18:44 GMT 2023
by
admin
on
Sat Dec 16 08:18:44 GMT 2023
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Record UNII |
UA49119C48
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Record Status |
Validated (UNII)
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3184-65-4
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ACTIVE MOIETY |