4-hexyl resorcinol
Notes:
a substituted dihydroxybenzene used topically as an antiseptic for the treatment of minor skin infections.
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4-hexylbenzene-1,3-diol (Click)
CAS Number: 136-77-6
ECHA EC Number:205-257-4
FDA UNII:R9QTB5E82N
Beilstein Number:2048312
MDL:MFCD00002284
XlogP3:3.50 (est)
Molecular Weight:194.27386000
Formula:C12 H18 O2
BioActivity Summary:listing
NMR Predictor:Predict
Category:antioxidants
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed: Search
NCBI: Search
JECFA Food Additive: 4-Hexylresorcinol
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Physical Properties:
Appearance:white powder (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed:No
Melting Point: 68.00 °C. @ 760.00 mm Hg
Boiling Point: 334.00 °C. @ 760.00 mm Hg
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antimicrobial agents
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Suppliers:
Penta International
4-HEXYLRESCORCINOL
Santa Cruz Biotechnology
4-Hexylresorcinol 99%
For experimental / research use only.
Sigma-Aldrich: Aldrich
4-Hexylresorcinol 98%
For experimental / research use only.
Treatt
4-Hexylresorcinol, Experimental
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Safety Information:
Oral/Parenteral Toxicity:
  oral-rat LD50  550 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 198, 1935.

oral-mouse LD50  1040 mg/kg
Pharmazie. Vol. 30, Pg. 147, 1975.

intraperitoneal-mouse LD50  335 mg/kg
Japanese Kokai Tokyo Koho Patents. Vol. #90-292213

oral-guinea pig LDLo  400 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 28, Pg. 609, 1931.

unreported-mouse LDLo  100 mg/kg
Annals of Tropical Medicine and Parasitology. Vol. 32, Pg. 177, 1938.

Dermal Toxicity:
  subcutaneous-mouse LDLo 750 mg/kg
"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 148, 1959.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category:antioxidants
Recommendation for 4-hexyl resorcinol usage levels up to:
 not for fragrance use.
Recommendation for 4-hexyl resorcinol flavor usage levels up to:
 not for flavor use.
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Safety References:
European Food Safety Authority (EFSA) reference(s):
Scientific Opinion on the re-evaluation of 4-hexylresorcinol (E 586) as a food additive
page or pdf
EPI System:View
Chemicalize.org:Calculate predicted properties
ClinicalTrials.gov:search
Daily Med:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
National Toxicology Program:Search
EPA Substance Registry Services (TSCA):136-77-6
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
 4-hexylbenzene-1,3-diol
DTP/NCI:1570
Chemidplus:0000136776
EPA/NOAA CAMEO:hazardous materials
RTECS:VH1575000 for cas# 136-77-6
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References:
 4-hexylbenzene-1,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:136-77-6
Pubchem (cid):3610
Pubchem (sid):134973215
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Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
Export Tariff Code:2907.29.6000
Haz-Map: View
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
•st 37, caprokol, crystoids, sucrets. •official hexylresorcinol pills are coated by patented process, gelatin coating being so tough that it cannot be readily broken even though chewed. •dosage forms-- pills nf: 100 & 200 mg. •formulation: sorunex
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Natural Occurrence in: note
 not found in nature
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Synonyms:
 benzenediol, 4-hexyl-
1,3-benzenediol, 4-hexyl-
 caprokol
1,3-dihydroxy-4-hexyl benzene
 gelovermin
 hexyl resorcinol
4-hexyl-1,3-benzenediol
4-hexyl-1,3-dihydroxybenzene
4-hexyl-benzene-1,3-diol
4-hexylbenzene-1,3-diol
4-hexylbenzol-1,3-diol
 hexylresorcin
4-hexylresorcine
4-hexylresorcinol
4-N-hexylresorcinol
p-hexylresorcinol
 sucrets
 worm-agen
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Articles:
PubMed:Silk fibroin and 4-hexylresorcinol incorporation membrane for guided bone regeneration.
PubMed:4-hexylresorcinol exerts antitumor effects via suppression of calcium oscillation and its antitumor effects are inhibited by calcium channel blockers.
PubMed:Cisplatin and 4-hexylresorcinol synergise to decrease metastasis and increase survival rate in an oral mucosal melanoma xenograft model: a preliminary study.
PubMed:4-n-butylresorcinol, a highly effective tyrosinase inhibitor for the topical treatment of hyperpigmentation.
PubMed:4-hexylresorcinol stimulates the differentiation of SCC-9 cells through the suppression of E2F2, E2F3 and Sp3 expression and the promotion of Sp1 expression.
PubMed:Comparison of the simple cyclic voltammetry (CV) and DPPH assays for the determination of antioxidant capacity of active principles.
PubMed:4-hexylresorcinol inhibits NF-κB phosphorylation and has a synergistic effect with cisplatin in KB cells.
PubMed:Aerosol deposition of hydroxyapatite and 4-hexylresorcinol coatings on titanium alloys for dental implants.
PubMed:Differential tissue distribution and specificity of phenoloxidases from the Pacific oyster Crassostrea gigas.
PubMed:A measurement of the unstirred aqueous boundary layer in a Franz diffusion cell.
PubMed:Edible mushroom (Flammulina velutipes) extract inhibits melanosis in Kuruma shrimp (Marsupenaeus japonicus).
PubMed:[Effect of chemical chaperones on properties of lysozyme and the reaction center protein from Rhodobacter sphaeroides].
PubMed:4-Hexylresorcinol inhibits transglutaminase-2 activity and has synergistic effects along with cisplatin in KB cells.
PubMed:First evidence of laccase activity in the Pacific oyster Crassostrea gigas.
PubMed:Variations in IC(50) values with purity of mushroom tyrosinase.
PubMed:Effect of natural antibrowning agents on color and related enzymes in fresh-cut Fuji apples as an alternative to the use of ascorbic acid.
PubMed:Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach.
PubMed:Effect of pyrophosphate and 4-hexylresorcinol pretreatment on quality of refrigerated white shrimp (Litopenaeus vannamei) kept under modified atmosphere packaging.
PubMed:Solvent effects on the spectroscopic properties of 4-hexylresorcinol.
PubMed:Browning prevention by ascorbic acid and 4-hexylresorcinol: different mechanisms of action on polyphenol oxidase in the presence and in the absence of substrates.
PubMed:Ascorbic acid and 4-hexylresorcinol effects on pear PPO and PPO catalyzed browning reaction.
PubMed:Oxyresveratrol as an antibrowning agent for cloudy apple juices and fresh-cut apples.
PubMed:Use of experimental design methodology to prepare Maillard reaction products from glucose and cysteine inhibitors of polyphenol oxidase from eggplant (Solanum melongena).
PubMed:[Determination of 4-hexylresorcinol residues in prawns and crabs].
PubMed:Role of sulfites and 4-hexylresorcinol in microbial growth and melanosis prevention of deepwater pink shrimp (Parapenaeus longirostris) using a controlled atmosphere.
PubMed:Effects of resveratrol and 4-hexylresorcinol on hydrogen peroxide-induced oxidative DNA damage in human lymphocytes.
PubMed:Polyphenol oxidases from latex of Hevea brasiliensis: purification and characterization.
PubMed:Maintaining quality of fresh-cut mangoes using antibrowning agents and modified atmosphere packaging.
PubMed:Cytokine release and cytotoxicity in human keratinocytes and fibroblasts induced by phenols and sodium dodecyl sulfate.
PubMed:Characterization of catecholase and cresolase activities of eggplant polyphenol oxidase.
PubMed:Determination of 4-hexylresorcinol in shrimp by liquid chromatography with fluorescence detection.
PubMed:Influence of pH, benzoic acid, glutathione, EDTA, 4-hexylresorcinol, and sodium chloride on the pressure inactivation kinetics of mushroom polyphenol oxidase.
PubMed:Oxidation of the flavonol quercetin by polyphenol oxidase.
PubMed:Extending storage life of fresh-cut apples using natural products and their derivatives.
PubMed:Oxidation of the flavonol fisetin by polyphenol oxidase.
PubMed:4-Hexylresorcinol as inhibitor of shrimp melanosis: efficacy and residues studies; evaluation of possible toxic effect in a human intestinal in vitro model (Caco-2); preliminary safety assessment.
PubMed:Determination of 4-hexylresorcinol in crab meat.
PubMed:Liquid chromatographic determination of the processing aid 4-hexylresorcinol in shrimp.
PubMed:Generally recognized as safe (GRAS) evaluation of 4-hexylresorcinol for use as a processing aid for prevention of melanosis in shrimp.
PubMed:Does everything "cause" cancer: an alternative interpretation of the "carcinogenesis" bioassay.
PubMed:Development and validation of a cellular transplant model for leukemia in Fischer rats: a short-term assay for potential anti-leukemic chemicals.
PubMed:Inhibition of some spontaneous tumors by 4-hexylresorcinol in F344/N rats and B6C3F1 mice.
PubMed:NTP Toxicology and Carcinogenesis Studies of 4-Hexylresorcinol (CAS No. 136-77-6) in F344/N Rats and B6C3F1 Mice (Gavage Studies).
PubMed:Genotoxicity of amebicide and anthelmintic drugs in Escherichia coli pol A+/pol A-.
PubMed:Prediction of solubility in nonideal multicomponent systems using the UNIFAC group contribution model.
PubMed:Mutagenicity of antiamebic and anthelmintic drugs in the Salmonella typhimurium microsomal test system.
PubMed:Solubility behavior of phenolic compounds in hexane-ethyl acetate, hexane-ethyl myristate, and hexane-ethyl pivalate cosolvent systems.
PubMed:Effect of complex formation between 4-hexylresorcinol and ethyl myristate on release rate of 4-hexylresorcinol from petrolatum base.
PubMed:Review of the 4-hexylresorcinol procedure for acrolein analysis.
PubMed:[Determination of acrolein in the air by means of its reaction with 4-hexylresorcinol].
PubMed:The use of acid dissociation constants in selecting buffers to effect the electrophoretic separation of bithionol, fenticlor, hexachlorophene, bromchlorophene, dichlorophene, tetrachlorophene and 4-hexylresorcinol.
PubMed:[Experimental anticancer studies. II. On the anti-tumor effect of 6-(2'-hydroxy-3', 5'-dihalophenylazo)-4-hexylresorcinol and related compounds on Yoshida sarcoma and Ehrlich ascites carcinoma in vivo].
PubMed:Experimental anticancer studies. I. The preparation of 6-(2'-hydroxy-3', 5'-dibromophenylazo)-4-hexylresorcinol and related compounds, with brief reference to their anticancer activity.
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Soluble in:
 acetone
 ether
 water, 500 mg/L @ 18C (exp)
Insoluble in:
 water
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