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

4-hydroxycoumarin
2H-1-benzopyran-2-one, 4-hydroxy-

Supplier Sponsors

Name:4-hydroxychromen-2-one
CAS Number: 1076-38-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-060-2
FDA UNII: X954ZLL2RD
Nikkaji Web:J12.175D
Beilstein Number:0129768
MDL:MFCD00006856
XlogP3-AA:1.30 (est)
Molecular Weight:162.14442000
Formula:C9 H6 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Boiling Point: 352.40 °C. @ 760.00 mm Hg (est)
Flash Point: 330.00 °F. TCC ( 165.40 °C. ) (est)
logP (o/w): 1.600 (est)
Soluble in:
 water, 1.949e+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-Hydroxycoumarin 98%
BOC Sciences
For experimental / research use only.
4-Hydroxy Coumarin > 95%
Odor: characteristic
Use: 4-Hydroxy Coumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase.
EMD Millipore
For experimental / research use only.
4-Hydroxycoumarin
sds
ExtraSynthese
For experimental / research use only.
4-Hydroxycoumarin (HPLC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
4-Hydroxycoumarin
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Hydroxycoumarin 98%
sds
TCI AMERICA
For experimental / research use only.
4-Hydroxycoumarin >98.0%(GC)(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:
intraperitoneal-mouse LD50 2000 mg/kg
Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946.

oral-mouse LD50 2000 mg/kg
Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.

Dermal Toxicity:
subcutaneous-mouse LD50 750 mg/kg
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 126, 1960.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 4-hydroxycoumarin usage levels up to:
 not for fragrance use.
 
Recommendation for 4-hydroxycoumarin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ClinicalTrials.gov:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1076-38-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :54682930
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-hydroxychromen-2-one
Chemidplus:0001076386
RTECS:DJ3100000 for cas# 1076-38-6
 
References:
 4-hydroxychromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):54682930
Pubchem (sid):134980284
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C20414
HMDB (The Human Metabolome Database):HMDB03654
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
 found in nature
 
Synonyms:
2H-1-benzopyran-2-one, 4-hydroxy-
 benzotetronic acid
 coumarin, 4-hydroxy- (8CI)
4-coumarinol
4-hydroxychromen-2-one
 

Articles:

PubMed:4-Methyl-7-hydroxycoumarin antifungal and antioxidant activity enhancement by substitution with thiosemicarbazide and thiazolidinone moieties.
PubMed:Antifungal and antibacterial activities of Mexican tarragon (Tagetes lucida).
PubMed:Molecular complexes of IQ and 4-hydroxy-coumarin: a mutagen-anti-mutagen system.
PubMed:Natural fungicides from Ruta graveolens L. leaves, including a new quinolone alkaloid.
PubMed:Production of polyclonal antibodies against ochratoxin A and its detection in chilies by ELISA.
PubMed:Simple and rapid method for the determination of the diastereomers of difenacoum in blood and liver using high-performance liquid chromatography with fluorescence detection.
PubMed:Laboratory evaluation of WBA 8119 as a rodenticide for use against warfarin-resistant and non-resistant rats and mice.
PubMed:The effect of aflatoxin on blood clotting in the rat.
 
Notes:
None found
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