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6-methyl coumarin

Chemical Structure

General Material Information

Preferred name 6-methyl coumarin
Trivial Name 6-Methylcoumarin
Short Description 6-methylcoumarin
Formula C10 H8 O2
CAS Number 92-48-8
FEMA Number 2699
Flavis Number 13.012
ECHA Number 202-158-8
FDA UNII EHP8W0L01A
Nikkaji Number J3.219K
Beilstein Number 0004222
MDL MFCD00006875
COE Number 579
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1172 6-methylcoumarin
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 92-48-8 ; 6-METHYLCOUMARIN
Synonyms
  • 2H-1-benzopyran-2-one, 6-methyl-
  • cocodescol
  • coumarin, 6-methyl-
  • 6-methyl benzopyrone
  • 6-methyl coumarin synthetic
  • 6-methyl coumarine
  • 6-methyl-1,2-benzopyrone
  • 5-methyl-2-hydroxyphenyl propenoic acid lactone
  • 5-methyl-2-hydroxyphenylpropenoic acid lactone
  • 6-methyl-2H-1-benzopyran-2-one
  • 6-methyl-2H-chromen-2-one
  • methyl-6 coumarin
  • 6-methyl-cis-o-coumarinic lactone
  • 6-methyl-cis-ortho-coumarinic lactone
  • 6-methylbenzopyrone
  • 6-methylchromen-2-one
  • 6-methylcoumarin
  • 6-methylcoumarin crystal
  • 6-methylcoumarin powder
  • pralina
  • toncair
  • toncarine
  • 6-methylchromen-2-one
  • 2H-1-Benzopyran-2-one, 6-methyl-
  • 6-Methyl-2H-1-benzopyran-2-one
  • 6-MC
  • 6-Methylbenzopyrone
  • 6-Methylcoumarin
  • 6-Methylcoumarinic anhydride
  • NSC 5870
  • 6-Methyl-2H-chromen-2-one

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

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Literature & References

6-methylchromen-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:92-48-8
Pubchem (cid):7092
Pubchem (sid):134972192
Publications by Info
EVALUATION OF CERTAIN FOOD ADDITIVES AND CONTAMINANTS
Publications by PubMed
Aquatic toxicity assessment of the additive 6-methylcoumarine using four experimental systems.
Comparison of the hepatic effects of coumarin, 3,4-dimethylcoumarin, dihydrocoumarin and 6-methylcoumarin in the rat.
A predictive mouse ear-swelling model for investigating topical photoallergy.
Use of the occlusive patch to evaluate the photosensitive properties of chemicals in guinea-pigs.
Regulatory issues concerning AETT and 6-MC.
Insight into the Functional and Structural Properties of 3-Arylcoumarin as an Interesting Scaffold in Monoamine Oxidase B Inhibition.
Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin.
Photomicronucleus assay of phototoxic and pseudophotoclastogenic chemicals in human keratinocyte NCTC2544 cells.
Phosphorylation of histone H2AX is a powerful tool for detecting chemical photogenotoxicity.
Vibrational and ab initio studies of 3-acetyl-6-bromocoumarin and 3-acetyl-6-methylcoumarin.
Supramolecular photocatalysis by confinement--photodimerization of coumarins within cucurbit[8]urils.
Development of an in vitro photosensitization assay using human monocyte-derived cells.
Complete reduction of 2H-pyran-2-one moiety of coumarin and 6-methyl coumarin by Colletotrichum capsici.
Simultaneous determination of 6-methylcoumarin and 7-methoxycoumarin in cosmetics using three-dimensional excitation-emission matrix fluorescence coupled with second-order calibration methods.
Aquatic toxicity assessment of the additive 6-methylcoumarine using four experimental systems.
Infrared study of 6-methylcoumarin in binary solvent mixtures.
In vitro phototoxicity test using artificial skin with melanocytes.
Induction of keratinocyte apoptosis by photosensitizing chemicals plus UVA.
Causal agents of photoallergic contact dermatitis diagnosed in the national institute of dermatology of Colombia.
Fourier transform-infrared and Raman spectra, ab initio calculations and assignments for 6-methyl-4-bromomethylcoumarin.
Photoallergic contact sensitization to 6-methylcoumarin in poikiloderma of Civatte.
Selectivity in the photodimerization of 6-alkylcoumarins.
Use of human reconstituted epidermis Episkin for assessment of weak phototoxic potential of chemical compounds.
Development of a highly sensitive in vitro phototoxicity assay using the SkinEthic reconstructed human epidermis.
Photochemical formation of singlet molecular oxygen ((1)O2) in illuminated 6-methylcoumarin solutions.
Comparison of the hepatic effects of coumarin, 3,4-dimethylcoumarin, dihydrocoumarin and 6-methylcoumarin in the rat.
Photoallergic contact dermatitis. Results of photopatch testing in New York, 1985 to 1990.
The phototoxicity of 8-methoxythionepsoralen and 6-methylthionecoumarin.
A predictive mouse ear-swelling model for investigating topical photoallergy.
Use of UVB and UVA to induce and elicit contact photoallergy in the mouse.
Use of the occlusive patch to evaluate the photosensitive properties of chemicals in guinea-pigs.
Perfume dermatitis.
Mechanisms of contact photosensitivity in mice. III. Predictive testing of chemicals with photoallergenic potential in mice.
[New data on photoallergy].
Determination of coumarin and 6-methylcoumarin in cosmetics by high-performance liquid chromatography.
Experimental photoallergic contact dermatitis: a mouse model.
The guinea pig as a model for predicting photoallergic contact dermatitis.
Perfume dermatitis. Part II. Photodermatitis to Musk Ambrette and 6-methylcoumarin.
Evaluation of the photocontact allergenic potential of 6-methylcoumarin in the guinea pig.
Photomaximization test for identifying photoallergic contact sensitizers.
Regulatory issues concerning AETT and 6-MC.
Contact photoallergy to 6-methylcoumarin in proprietary sunscreens.
Photocontact allergy to 6-methylcoumarin.
Caffeine, caffeine derivatives and chromosomal aberrations. II. Different responses of Allium root tips and Chinese hamster cells to treatments with caffeine, 8-ethoxycaffeine and 6-methylcoumarin.

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32394
FooDB:FDB009822
Export Tariff Code:2932.20.0500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 160.17216491699
Melting Point 73 to 79°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.933 est
Solubility
alcohol Yes
water, very slightly Yes
water, 1189 mg/L @ 25 °C (est) Yes
water No
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Coconut
coconut, creamy, powdery, coumarinic, tonka, cinnamyl, vanilla, floral, earthy, sweet
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity 347 hour(s) at 1.00 % in dipropylene glycol
Luebke, William tgsc, (2021) At 1.00 % in dipropylene glycol. coconut creamy powdery coumarinic tonka cinnamyl vanilla floral earthy
Mosciano, Gerard P&F 16, No. 3, 79, (1991) Sweet coconut, vanilla, creamy with a powdery floral nuance
Flavor Type: Coconut
coconut, vanilla, creamy, coumarinic, tonka, cake, sweet
Luebke, William tgsc, (2021) Coconut vanilla creamy coumarinic tonka cake
Mosciano, Gerard P&F 16, No. 3, 79, (1991) At 20.00 ppm. Sweet coconut, vanilla like with a creamy cake-like nuance

Potential Uses

Applications
Odor purposes Amber, Balsam, Fern, Hay new mown hay, Incense, Labdanum, Lavender, Moss, Myrrh, Oriental, Tonka bean, Woody
Flavoring purposes Caramel, Coconut, Date, Fig, Mimosa, Vanilla
Other purposes Oral care agents
Cosmetic purposes Fragrance, Oral care agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1680 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 605, 1976.

Dermal Toxicity:
subcutaneous-mouse LD50 253 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 Cosmetics Toxicology. Vol. 14, Pg. 605, 1976.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
IFRA Critical Effect:
Photosensitization
View the IFRA Standard
Recommendation for 6-methyl coumarin usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Maximised Survey-derived Daily Intakes (MSDI-EU): 250.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 96.00 (μg/capita/day)
NOEL (No Observed Effect Level): 150.00 (mg/kg bw per day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -24.00000
beverages(nonalcoholic): -5.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.8000015.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.80000
fruit ices: -4.80000
gelatins / puddings: -39.00000
granulated sugar: --
gravies: --
hard candy: -21.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 217: alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: Lactones[1]
View page or View pdf

Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 217, Revision 1 (FGE.217Rev1). Consideration of genotoxic potential for a,ß-unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: Lactones
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 217 Revision 2 (FGE.217Rev2), consideration of genotoxic potential for a,ß-unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: lactones
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):92-48-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7092
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
6-methylchromen-2-one
Chemidplus:0000092488
EPA/NOAA CAMEO:hazardous materials
RTECS:GN7792000 for cas# 92-48-8