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3-methyl coumarin
2H-1-benzopyran-2-one, 3-methyl- (9CI)

Supplier Sponsors

Name:3-methylchromen-2-one
CAS Number: 2445-82-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-498-8
FDA UNII: 9PCU0P29Z3
Nikkaji Web:J96.128K
Beilstein Number:0122776
XlogP3-AA:2.30 (est)
Molecular Weight:160.17216000
Formula:C10 H8 O2
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 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: 91.00 °C. @ 760.00 mm Hg
Boiling Point: 292.50 °C. @ 760.00 mm Hg
Flash Point: 249.00 °F. TCC ( 120.60 °C. ) (est)
logP (o/w): 2.420 (est)
Soluble in:
 water, 1189 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-chromen-2-one
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
subcutaneous-mouse LD50 316 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for 3-methyl coumarin usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl coumarin 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):2445-82-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17130
National Institute of Allergy and Infectious Diseases:Data
3-methylchromen-2-one
Chemidplus:0002445821
 
References:
 3-methylchromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):17130
Pubchem (sid):135036730
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2H-1-benzopyran-2-one, 3-methyl- (9CI)
 coumarin, 3-methyl-
3-methyl-2H-1-benzopyran-2-one
3-methyl-2H-chromen-2-one
3-methylchromen-2-one
 

Articles:

PubMed:Two new compounds from the plant endophytic fungus Pestalotiopsis versicolor.
PubMed:Spectroscopic and quantum chemical electronic structure investigations of 3,4-dihydrocoumarin and 3-methylcoumarin.
PubMed:Crystal structure of 5,7-dihydroxy-3-methylcoumarin.
PubMed:Coumarins from the aerial part of Halocnemum strobilaceum.
PubMed:Toxicity of coumarin and various methyl derivatives in cultures of rat hepatocytes and V79 cells.
PubMed:Photolysis and deacylation of inhibited chymotrypsin.
PubMed:[DERIVATIVES OF BENZOFURAN AND COUMARIN. III. BETA-ALANINAMIDES OF THE 2-ETHYL-3-METHYLBENZOFURAN AND 2-ETHYL-3-METHYLCOUMARIN SERIES].
PubMed:[Research on benzopyrones; ultraviolet spectra of 3-methylcoumarin and 4-methylcoumarin].
 
Notes:
None found
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