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7-methyl coumarin

Chemical Structure

General Material Information

Preferred name 7-methyl coumarin
Trivial Name 7-Methylcoumarin
Short Description 2H-1-benzopyran-2-one, 7-methyl-
Formula C10 H8 O2
CAS Number 2445-83-2
ECHA Number 219-499-3
FDA UNII YCN83T03QU
Nikkaji Number J118.426A
Beilstein Number 0122625
MDL MFCD00006880
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 2H-1-benzopyran-2-one, 7-methyl-
  • coumarin, 7-methyl-
  • 7-methyl-2H-1-benzopyran-2-one
  • 7-methyl-2H-chromen-2-one
  • 7-methylchromen-2-one
  • 7-methylcoumarin
  • 7-methylcumarin
  • 7-methylchromen-2-one
  • 2H-1-Benzopyran-2-one, 7-methyl-
  • 7-Methyl-2H-1-benzopyran-2-one
  • 7-Methylcoumarin
  • NSC 19511
  • 7-Methyl-2H-chromen-2-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
Export Tariff Code:2932.20.0500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.17216491699
Melting Point 128 to 130°C @ 760 mm Hg
Boiling Point 171 to 172°C @ 11 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 125.56 °C TCC
logP (o/w) 2.274 est
Solubility
alcohol Yes
water, 1189 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Tonka
sweet, coumarinic, tonka, coconut, powdery
Odor strength low , recommend smelling in a 1.00 % solution or less
Substantivity 400 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1991) At 100.00 %. sweet coumarin tonka coconut powdery

Safety Information

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-rat LD50 3800 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.

Dermal Toxicity:
subcutaneous-mouse LD50 258 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.

skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Dermal sensitization, photosensitization
View the IFRA Standard
Recommendation for 7-methyl coumarin usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Recommendation for 7-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 Substance Registry Services (TSCA):2445-83-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17131
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
7-methylchromen-2-one
Chemidplus:0002445832
RTECS:GN7792100 for cas# 2445-83-2