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

coumarin, 3-hydroxy-

Supplier Sponsors

CAS Number: 939-19-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-355-3
Nikkaji Web:J298.537C
Beilstein Number:0128032
XlogP3-AA:1.80 (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
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 369.90 °C. @ 760.00 mm Hg (est)
Flash Point: 346.00 °F. TCC ( 174.70 °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
For experimental / research use only.
3-Hydroxycoumarin (HPLC) ≥95%
Matrix Scientific
For experimental / research use only.
3-Hydroxy-2H-chromen-2-one, 97%
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
For experimental / research use only.
3-Hydroxycoumarin >98.0%(GC)(T)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 1800 mg/kg
Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 3-hydroxycoumarin usage levels up to:
 not for fragrance use.
Recommendation for 3-hydroxycoumarin flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13650
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:GN6797000 for cas# 939-19-5
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13650
Pubchem (sid):134979103
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):HMDB02149
Export Tariff Code:2932.20.4500
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 found in nature
2H-1-benzopyran-2-one, 3-hydroxy- (9CI)
 coumarin, 3-hydroxy-


PubMed:Exploring molecular structures, orbital interactions, intramolecular proton-transfer reaction kinetics, electronic transitions and complexation of 3-hydroxycoumarin species using DFT methods.
PubMed:Synthesis, docking and in vitro anticancer evaluation of some new benzopyrone derivatives.
PubMed:A new combination MALDI matrix for small molecule analysis: application to imaging mass spectrometry for drugs and metabolites.
PubMed:Synthesis of biologically active 1'-(2-oxo-2H-benzopyran-6-yl)- 5'-hydroxy-2'-methylindole-3'-amido-2"-phenyl-thiazolidene-4"-ones.
PubMed:Synthesis of novel biologically active heterocyclic compounds from 2-oxo-2H-benzopyran-6-yl-imidazolidine.
PubMed:Engineering bacterial cytochrome P450 (P450) BM3 into a prototype with human P450 enzyme activity using indigo formation.
PubMed:CYP2A6 polymorphisms: is there a role for pharmacogenomics in preventing coumarin-induced hepatotoxicity in lymphedema patients?
PubMed:3-Hydroxycoumarin as a new matrix for matrix-assisted laser desorption/ionization time-of-flight mass spectrometry of DNA.
PubMed:Troxerutin protects the isolated perfused rat liver from a possible lipid peroxidation by coumarin.
PubMed:Antioxidant properties of 3-hydroxycoumarin derivatives.
PubMed:Cloning and characterization of a glucosyltransferase that reacts on 7-hydroxyl group of flavonol and 3-hydroxyl group of coumarin from tobacco cells.
PubMed:Identification of the cytochromes P450 that catalyze coumarin 3,4-epoxidation and 3-hydroxylation.
PubMed:o-hydroxyphenylacetaldehyde is a hepatotoxic metabolite of coumarin.
PubMed:Structure-function analysis of human cytochrome P450 3A4 using 7-alkoxycoumarins as active-site probes.
PubMed:Synthesis and reactivity of coumarin 3,4-epoxide.
PubMed:Conformational properties of topoisomerase II inhibitors and sequence specificity of DNA cleavage.
PubMed:3-hydroxycoumarin glycosides from Alyxia reinwardti var. Lucida.
PubMed:Metabolism of coumarin by rat, gerbil and human liver microsomes.
PubMed:Effect of inducers of cytochrome P-450 on the metabolism of [3-14C]coumarin by rat hepatic microsomes.
PubMed:On the reactions of superoxide with keto enols, aci-reductones and ascorbic acid derivatives.
PubMed:Coumarin and 7-hydroxycoumarin treatment of canine obstructive lymphoedema.
PubMed:A new monooxygenase product from 7-ethoxycoumarin and its relation to the O-dealkylation reaction.
PubMed:Researches in the field of antiviral compounds. Mannich Bases of 3-hydroxycoumarin.
3 hydroxycoumarin is a metabolite of coumarin. In particular, coumarin is metabolized by CYP3A4 to form 3-hydroxycoumarin (PMID 17286538). [HMDB]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy