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

4-methyl esculetin
2H-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl-

Supplier Sponsors

Name:6,7-dihydroxy-4-methylchromen-2-one
CAS Number: 529-84-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-470-0
FDA UNII: 132H8N0A91
Nikkaji Web:J11.701C
Beilstein Number:0162550
MDL:MFCD00006859
XlogP3:1.50 (est)
Molecular Weight:192.17056000
Formula:C10 H8 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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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
Equivalence Factor for Assay:.
Food Chemicals Codex Listed: No
Boiling Point: 455.50 °C. @ 760.00 mm Hg (est)
Flash Point: 375.00 °F. TCC ( 190.80 °C. ) (est)
logP (o/w): 0.959 (est)
Soluble in:
 water, 2.097e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
4-Methyl-6,7-dihydroxycoumarin 98%
BOC Sciences
For experimental / research use only.
4-Methyl-6,7-dihydroxycoumarin >98%
ExtraSynthese
For experimental / research use only.
6,7-Dihydroxy-4-methylcoumarin (HPLC) ≥95%
Matrix Scientific
For experimental / research use only.
6,7-Dihydroxy-4-methyl-2H-chromen-2-one
sds
Penta International
6,7-DIHYDROXY-4-METHYLCOUMARIN
Santa Cruz Biotechnology
For experimental / research use only.
6,7-Dihydroxy-4-methylcoumarin ≥97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
6,7-Dihydroxy-4-methylcoumarin 98%
sds
TCI AMERICA
For experimental / research use only.
4-Methylesculetin >98.0%(HPLC)(T)
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:
oral-mouse LD50 3200 mg/kg
Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.

intraperitoneal-rat LD50 5130 mg/kg
CARDIAC: CARDIOMEGALY CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Therapie. Vol. 20, Pg. 879, 1965.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for 4-methyl esculetin usage levels up to:
 not for fragrance use.
 
Recommendation for 4-methyl esculetin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):529-84-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5319502
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
6,7-dihydroxy-4-methylchromen-2-one
Chemidplus:0000529840
RTECS:GN6384500 for cas# 529-84-0
 
References:
 6,7-dihydroxy-4-methylchromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5319502
Pubchem (sid):134976118
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB003829
Export Tariff Code:2932.20.4500
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 dill seed oil
Search Trop Picture
 
Synonyms:
 aesculetin, 4-methyl-
2H-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl-
 coumarin, 6,7-dihydroxy-4-methyl-
6,7-dihydroxy-4-methyl-2H-1-benzopyran-2-one
6,7-dihydroxy-4-methyl-2H-benzopyran-2-one
6,7-dihydroxy-4-methyl-2H-chromen-2-one
6,7-dihydroxy-4-methyl-chromen-2-one
6,7-dihydroxy-4-methylchromen-2-one
6,7-dihydroxy-4-methylcoumarin
4-methyl-6,7-dihydroxycoumarin
4-methylaesculetin
4-methylesculetin
4-methylesculetol
5,6,7,7a,8,9,10,11-octahydro-4H-benzo[ef]heptalene
 

Articles:

PubMed:Effects of sesquiterpene, flavonoid and coumarin types of compounds from Artemisia annua L. on production of mediators of angiogenesis.
PubMed:A selective turn-on fluorescent sensor for sulfur mustard simulants.
PubMed:Antiarthritic and antiinflammatory propensity of 4-methylesculetin, a coumarin derivative.
PubMed:Absence of genotoxic effects of the coumarin derivative 4-methylesculetin in vivo and its potential chemoprevention against doxorubicin-induced DNA damage.
PubMed:Suppression of TNBS-induced colitis in rats by 4-methylesculetin, a natural coumarin: comparison with prednisolone and sulphasalazine.
PubMed:Short- and long-term regulation of 3-hydroxy 3-methylglutaryl coenzyme A reductase by a 4-methylcoumarin.
PubMed:Structure-activity relationship of dihydroxy-4-methylcoumarins as powerful antioxidants: correlation between experimental & theoretical data and synergistic effect.
PubMed:Intestinal anti-inflammatory activity of esculetin and 4-methylesculetin in the trinitrobenzenesulphonic acid model of rat colitis.
PubMed:Synthesis, characterisation and antimicrobial activity of copper(II) and manganese(II) complexes of coumarin-6,7-dioxyacetic acid (cdoaH2) and 4-methylcoumarin-6,7-dioxyacetic acid (4-MecdoaH2): X-ray crystal structures of [Cu(cdoa)(phen)2].8.8H(2)O and [Cu(4-Mecdoa)(phen)2].13H2O (phen=1,10-phenanthroline).
PubMed:Inhibitory effect of 4-methylesculetin on hyaluronan synthesis slows the development of human pancreatic cancer in vitro and in nude mice.
PubMed:Structural requirements of hydroxylated coumarins for in vitro anti-Helicobacter pylori activity.
PubMed:Protection of coumarins against linoleic acid hydroperoxide-induced cytotoxicity.
PubMed:[Sensitization and crossreaction of simple coumarins].
PubMed:Effect of coumarins on HL-60 cell differentiation.
PubMed:Pharmacological and biochemical actions of simple coumarins: natural products with therapeutic potential.
PubMed:Studies on the preparation of bioactive lignans by oxidative coupling reaction. VI. Oxidation of methyl (E)-3-(4,5-dihydroxy-2-methoxyphenyl)-2-butenoate and lipid peroxidation-inhibitory effects of the produced caffeoquinone.
PubMed:Novel sensing system for glucose based on the complex formation between phenylborate and fluorescent diol compounds.
PubMed:The sensitizing capacity of coumarins (II).
PubMed:The sensitizing capacity of coumarins (I).
PubMed:Liberation of prostaglandin-like substances from the isolated coronary artery in presence of angiotensin and of 4-methylesculetin.
PubMed:[Facilitation of the onset of tetanic responses induced by 4-methylesculetol in amphibian isolated neuromuscular preparations].
PubMed:[Contraction of the isolated stomach of the rat as a result of stimulation of postganglionic fibers in the presence of 4-methylesculetol].
PubMed:[Effect of a bioflavinoid (4-methylesculetin) on the response of calf hepatic arteries to serotonin in the presence of indomethacin].
PubMed:[Effect of a flavinoid (4-methylesculetin) on the response of isolated calf coronary arteries to histamine in the presence of indomethacin].
PubMed:[Responses of isolated hepatic artery segments to barium in the presence of a flavonoid (4-methylesculetin), indomethacin and acetylsalicylate].
PubMed:[Influence of 4-methylesculetol on the response of segments of isolated coronary arteries to adrenaline, in presence of pyrogallol].
PubMed:[Effect of prostaglandin-synthetase inhibitors on responses of segments of coronary arteries to 4-methylesculetol and/or to angiotensin II].
PubMed:[Influence of bioflavonoid (4-methylesculetin) on the reaction of isolated calf hepatic artery to serotonin].
PubMed:[Effect of a flavonoid (4-methylesculetin) on the response of isolated segments of coronary arteries to adrenaline].
PubMed:[Effect of a flavonoid (4-methylesculetin) on the response of isolated calf coronary arteries to histamine].
PubMed:The relation of cycling of intracellular pH to mitosis in the acellular slime mould Physarum polycephalum.
PubMed:Methyl calcein blue and other analogues of calcein blue.
PubMed:[Polarographic method for quantitative determination of 4-methylesculetin-6,7-disulfonic acid (water-soluble vitamin P) in pharmaceutical preparations].
PubMed:[Polarographic determination of the bisodium salt of 4-methylesculetin-6,7-disulfuric ester. IX. Control of various pharmaceutical products].
PubMed:[Experimental and clinical use of disodium salt of 4-methylesculetin disulfuric ester in treatment of traumatic shock in 400 cases].
PubMed:[Endothelial permeability in the pathogenesis of experimental atherosclerosis. I. Protective effect of 4-Methylesculetin, disulfuric ester].
PubMed:[Diseases of children with increased capillary fragility treated with a disulfuric ester of 4-methyl-esculetin].
 
Notes:
None found
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