EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-chlororesorcinol
4-chloro-1,3-dihydroxybenzene

Supplier Sponsors

Name:4-chlorobenzene-1,3-diol
CAS Number: 95-88-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-462-0
FDA UNII: 87045U29QJ
Nikkaji Web:J54.290C
Beilstein Number:2042864
MDL:MFCD00002273
XlogP3:2.10 (est)
Molecular Weight:144.55625000
Formula:C6 H5 Cl O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:hair dyeing agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 107.00 °C. @ 760.00 mm Hg
Boiling Point: 259.00 °C. @ 760.00 mm Hg (est)
Flash Point: 251.00 °F. TCC ( 121.60 °C. ) (est)
logP (o/w): 1.800
Soluble in:
 water, 8840 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: hair dyeing agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Chlororesorcinol >98%
EMD Millipore
For experimental / research use only.
4-Chlororesorcinol
sds
Santa Cruz Biotechnology
For experimental / research use only.
4-Chlororesorcinol ≥99%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Chlororesorcinol 98%
sds
TCI AMERICA
For experimental / research use only.
4-Chlororesorcinol >95.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 195 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 185, 1957.

oral-rat LD50 369 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 15, Pg. 607, 1977.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
hair dyeing agents
Recommendation for 4-chlororesorcinol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-chlororesorcinol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):95-88-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1731
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:3
4-chlorobenzene-1,3-diol
Chemidplus:0000095885
RTECS:VH0450000 for cas# 95-88-5
 
References:
 4-chlorobenzene-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:95-88-5
Pubchem (cid):1731
Pubchem (sid):134972200
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2907.29.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 hair dyeing agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-benzenediol, 4-chloro-
4-chloro resorcinol
4-chloro-1,3-benzenediol
4-chloro-1,3-dihydroxybenzene
1-chloro-2,4-dihydroxybenzene
4-chlorobenzene-1,3-diol
1,3-dihydroxy-4-chlorobenzene
2,4-dihydroxychlorobenzene
 parmetol
 raschit K
 resorcinol, 4-chloro-
 

Articles:

PubMed:Degradation of 4-chloro-3-nitrophenol via a novel intermediate, 4-chlororesorcinol by Pseudomonas sp. JHN.
PubMed:Synthesis, characterization and enzyme inhibition study of O-substituted derivatives of chlorinated coumarin.
PubMed:Oxidation products and degradation pathways of 4-chlorophenol by catalytic ozonation with MnOx/γ-Al2O3/TiO2 as catalyst in aqueous solution.
PubMed:The intermediate products in the degradation of 4-chlorophenol by pulsed high voltage discharge in water.
PubMed:Photolysis of 4-chlororesorcinol in water: competitive formation of a singlet ketene and a triplet carbene.
PubMed:Monochloramination of resorcinol: mechanism and kinetic modeling.
PubMed:Magnetic-field induced isotropic to nematic liquid crystal phase transition.
PubMed:Examination and expansion of the substrate range of m-hydroxybenzoate hydroxylase.
PubMed:Field-induced phase transitions and reversible field-induced inversion of chirality in tilted smectic phases of bent-core mesogens.
PubMed:Degradation of clofibric acid in acidic aqueous medium by electro-Fenton and photoelectro-Fenton.
PubMed:Optically isotropic liquid-crystal phase of bent-core molecules with polar nanostructure.
PubMed:Voltammetric investigation of hair dye constituents: application to the quantification of p-phenylenediamine.
PubMed:Discrete versus infinite molecular self-assembly: control in crystalline hydrogen-bonded assemblies based on resorcinol.
PubMed:Multigeneration reproduction and carcinogenicity studies in Sprague-Dawley rats exposed topically to oxidative hair-colouring formulations containing p-phenylenediamine and other aromatic amines.
PubMed:Altering the Pigments Produced by Tyrosinase and Ortho-Hydroxyphenols with a Meta-Hydroxyphenol, 4-Chlororesorcinol.
PubMed:Inhibition of melanin formation in vivo by 4-chlororesorcinol.
PubMed:Studies in detoxication; the orientation of conjugation in the metabolites of 4-chlorocatechol and 4-chlororesorcinol, with some observations on the fate of (+)-adrenaline, protocatechuic acid and protocatechuic aldehyde in the rabbit.
 
Notes:
None found
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