6-methyl coumarin

6-methylcoumarin

CAS: 92-48-8 C10 H8 O2 MW: 160.17216000 coconut coconut

Identification

Name6-methyl coumarin
IUPAC6-methylchromen-2-one
CAS Number92-48-8
EINECS202-158-8
FDA UNIIEHP8W0L01A
Molecular FormulaC10 H8 O2
Molecular Weight160.17216000
MDL NumberMFCD00006875
Nikkaji NumberJ3.219K
Beilstein0004222
CoE Number579
XlogP31.80 (est)

Regulatory

JECFA Food Flavoring1172 6-methylcoumarin
DG SANTE Food Flavourings13.012 6-methylcoumarin
FEMA Number2699
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)92-48-8 ; 6-METHYLCOUMARIN

Physical Properties

Appearance white crystals (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed Yes
Melting Point 73.00 to 79.00 °C. @ 760.00 mm Hg
Boiling Point 303.00 °C. @ 725.00 mm Hg
Congealing Point 73.50 °C.
Vapor Pressure 0.001000 mmHg @ 25.00 °C. (est)
Flash Point > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w) 1.933 (est)
Soluble in alcohol
Insoluble in water
Stability non-discoloring in most media

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesfragrance

Organoleptic Properties

Odor Strength medium ,
Substantivity 347 hour(s) at 1.00 % in dipropylene glycol
Odor Description
at 1.00 % in dipropylene glycol.
Sweet coconut, vanilla, creamy with a powdery floral nuance
Odor sample from Advanced Biotech. Inc.
Taste Description
coconut vanilla creamy coumarinic tonka cake
at 20.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 1680 mg/kg
Dermal Toxicitysubcutaneous-mouse LD50 253 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
IFRA Critical EffectPhotosensitization
Recommendation for 6-methyl coumarin usage levels up toPROHIBITED: 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 ClassIII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum0.80000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-

ACS International GmbH

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Advanced Biotech. Inc.

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Augustus Oils Ltd

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Berje Inc.

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Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.

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Elan Inc.

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Highest quality natural and synthetic products.

View All Website +86 021 57448053 (Elan Shanghai) dpimentel@elan-chemical.com

H. Interdonati, Inc.

Innovative products

Because your flavors and fragrances are only as good as their source "Since 1952"

View All Website 800 367-6617 flavorplus@hinterdonati.com

Indukern, S.A. F&F Ingredients Division

Commitment to quality

Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.

View All Website +34 93 506 91 00 info@indukern.es

Jiangyin Healthway International Trade Co., Ltd

Independent Ingredients Supplier

We provide custom synthesis and contract manufacturing from milligrams to metric tonnes.

View All Website 86-510-86023169 info@healthwaychem.com

Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

View All Website 34 93 379 38 49 web@lluche.com

M&U International LLC

Steady supply & demand

Meeting customers increasing demands at home as well as abroad.

View All Website 908-359-9000 sales@mu-intel.com

Moellhausen S.P.A.

THE CHEMISTRY OF EMOTIONS

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Penta International Corporation

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PerfumersWorld Ltd.

feeeel... the smell!

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Sigma-Aldrich

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SRS Aromatics Ltd

For over 25 years

Bringing flavour and fragrance into your world.

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Sunaux International

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We have industry leading processes and procedures to ensure nothing but the most reliable product.

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TCI AMERICA

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R C Treatt and Co Ltd

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World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

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Qingdao Free Trade Zone United International Co Ltd

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Ernesto Ventós S.A.

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Vigon International

Passion for Simplicity

Manufacturer and supplier of high quality flavor and fragrance ingredients.

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WholeChem, LLC

Connecting Innovators To the Building Blocks Of the Universe

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Potential Uses

FR amber FR balsam FL caramel FL coconut FL date FR fern FL fig FR hay new mown hay FR incense FR labdanum FR lavender FL mimosa FR moss FR myrrh oral care agents FR oriental FR tonka bean FL vanilla FR woody

Natural Occurrence

not found in nature

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