Identification

Namecoumarin
IUPACchromen-2-one
CAS Number91-64-5
EINECS202-086-7
FDA UNIIA4VZ22K1WT
Molecular FormulaC9 H6 O2
Molecular Weight146.14522000
MDL NumberMFCD00006850
Nikkaji NumberJ3.218B
Beilstein0383644
XlogP31.40 (est)

Regulatory

FDA Mainterm (SATF)91-64-5 ; COUMARIN--PROHIBITED
FDA RegulationFDA PART 189 -- SUBSTANCES PROHIBITED FROM USE IN HUMAN FOOD

Physical Properties

Appearance white crystals (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 68.00 to 74.00 °C. @ 760.00 mm Hg
Boiling Point 297.00 to 301.00 °C. @ 760.00 mm Hg, 161.00 to 162.00 °C. @ 14.00 mm Hg
Congealing Point 68.00 °C.
Vapor Pressure 0.100000 mmHg @ 20.00 °C.
Vapor Density 5.1 ( Air = 1 )
Flash Point > 200.00 °F. TCC ( > 93.00 °C. )
logP (o/w) 1.390
Shelf Life 24.00 month(s) or longer if stored properly.
Storage store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in alcohol
Insoluble in water
Stability non-discoloring
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity 364 hour(s) at 10.00 % in dipropylene glycol
Odor Description
at 10.00 % in dipropylene glycol.
sweet, stinging, coconut note
Sweet, hay, tonka, new-mown-hay
Odor sample from Givaudan Corporation

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 293 mg/kg
Dermal Toxicitysubcutaneous-mouse LD50 242 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

Categoryfragrance agents
RIFM Fragrance Material Safety AssessmentSearch
IFRA Critical EffectDermal sensitization and systemic toxicity
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%)Category 1: Products applied to the lips
NotesIFRA FLAVOR REQUIREMENTS:
Recommendation for coumarin flavor usage levels up tonot for flavor use.

ACS International GmbH

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Augustus Oils Ltd

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M&U International LLC

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OQEMA

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PerfumersWorld Ltd.

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Prodasynth

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Sigma-Aldrich

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SRS Aromatics Ltd

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Ernesto Ventós S.A.

Leaders in essence

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Passion for Simplicity

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Potential Uses

a suma FR acacia aimant FR aldehydic FR allspice FR almond FR amber FR ambrene FR ambrosia FR angel essence FR apricot FR azalea FR baby powder FR balsam FR banana FR bay rum FR bayberry FR beeswax absolute replacer FR benzoinett FR blue grass FR blue mist FR bluebell FR bubble gum FR carnation FR cassia FR cedar chanel #5 FR cherry FR cherry blossom FL chocolate cocoa FR christmas FR chypre FR clover FR coconut FR coconut tropical coconut FR cologne FR coronilla FR country meadow FR crabapple blossom FR deertongue absolute replacer FR elder flower emeraude erica FR evergreen FR fern FR fetes FR fir needle oil replacer fixer FR floral FR frangipani plumeria FR fresh outdoors FR gardenia FR gingerbread FR hawthorn FR hay new mown hay FR heliotrope FR herbal FR honeysuckle FL/FR immortelle FR jasmin je reviens jicky FR juniper berry FR lavender FR leather russian leather FR lemon FR lime FR maja FR melon FR mimosa FR mint FR musk my sin nemesia FL nut FR ophira FR opoponax FR orange blossom FR orchid FR oriental origan FR papaya FR passion blossom FL/FR pennyroyal FR pina colada FR pine forest FR poppy red poppy FR powder presence FR pumpkin pie FR rain FR sandalwood FR sassafras scandal shalimar softener FR sweet grass FR sweet pea tabu tide FR tobacco FR tonka bean FR tuberose FL/FR valerian FR vanilla FR violet vol de nuit FR wallflower FR windsor soap FR wisteria FR woodruff FR woody FR ylang ylang FR zibeline

Natural Occurrence

anise seed apple custard apple plant barley plant bergamot oil @ trace% Data bilberry fruit - 0.0005 mg/kg cacao bean caper plant carrot root cassia bark cassia leaf oil - up to 83,300 mg /kg celery seed champaca concrete @ 0.01% Data cherry sour cherry plant chicory plant cichorium intybus l. root extract @ 0.20% Data cinnamon bark oil - 7000 mg/kg cinnamon bark oil (cinnamomum zeylanicum blume) india @ 0.41% Data cinnamon ceylon cinnamon bark cinnamon ceylon cinnamon leaf oil cinnamon ceylon cinnamon stem bark cinnamon leaf oil - 40,600 mg/kg cinnamon twig oil @ 0.32% Data clover yellow sweet clover cocoa bean date palm leaf dill seed fenugreek plant fenugreek seed fig leaf grape fruit honey buckwheat honey PbMd PMC lavandin absolute grosso @ 7.70% Data lavandin water (lavandula hydrida) @ 0.08% Data lavender oil - 20 mg/kg lavender spike water @ 0.06% Data lavender water bulgaria @ 0.19% Data lemon plant lovage root mugwort plant peppermint leaf peppermint oil - 20 mg/kg purslane plant tarragon plant tea green tea - 1.2 – 1.7 mg/kg thyme oil tonka bean wormwood wild wormwood plant

Synonyms

benzo-alpha-pyrone 2H- benzo(b)pyran-2-one 2H- benzo[b]pyran-2-one 2-oxo-1,2- benzopyran 2-oxo-2H-1- benzopyran o-oxo-1,2- benzopyran ortho-oxo-1,2- benzopyran 1- benzopyran-2-one 2H- benzopyran-2-one 2H-1- benzopyran-2-one 2H-1- benzopyran, 2-oxo- 1,2- benzopyrone chromen-2-one 2H- chromen-2-one chromenone cis-o- coumaric acid anhydride coumarin (ex tonka beans) coumarin crystals coumarin natural coumarin powder 60 mesh coumarin, chinese coumarin, japan coumarine coumarine ( ex china ) coumarine rhodiantal (Z)-o- coumarinic acid lactone (Z)-ortho- coumarinic acid lactone coumarinic anhydride coumarinic lactone cumarin o- hydroxycinnamic acid delta-lactone ortho- hydroxycinnamic acid delta-lactone o- hydroxycinnamic acid lactone ortho- hydroxycinnamic acid lactone o- hydroxycinnamic lactone ortho- hydroxycinnamic lactone 3-(2- hydroxyphenyl)-2-propenoic d-lactone 3-(2- hydroxyphenyl)-delta-lactone 2- propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2- propenoic acid, 3-(2-hydroxyphenyl)-d-lactone tonka bean camphor PubMed: Effect of flavors on the viscosity and gelling point of aqueous poloxamer solution. PubMed: Quantification of flavor-related compounds in the unburned contents of bidi and clove cigarettes. PubMed: Biocatalytic production of dihydrocoumarin from coumarin by Saccharomyces cerevisiae. PubMed: Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis. PubMed: Concentrations of nine alkenylbenzenes, coumarin, piperonal and pulegone in Indian bidi cigarette tobacco. PubMed: Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey. PubMed: Constituents of the essential oil of the Cinnamomum cassia stem bark and the biological properties. PubMed: Solid phase microextraction of alkenylbenzenes and other flavor-related compounds from tobacco for analysis by selected ion monitoring gas chromatography-mass spectrometry. PubMed: NTP Toxicology and Carcinogenesis Studies of Coumarin (CAS No. 91-64-5) in F344/N Rats and B6C3F1 Mice (Gavage Studies). PubMed: Reactions in selected patients to 22 fragrance materials. PubMed: Full evaporation dynamic headspace and gas chromatography-mass spectrometry for uniform enrichment of odor compounds in aqueous samples. PubMed: Volatiles of French ferns and "fougère" scent in perfumery. PubMed: Volatile components of whole and different plant parts of bastard balm (Melittis melissophyllum L., Lamiaceae) collected in Central Italy and Slovakia. PubMed: Predication of Japanese green tea (Sen-cha) ranking by volatile profiling using gas chromatography mass spectrometry and multivariate analysis. PubMed: Characterization and potential uses of Copaifera langsdorfii seeds and seed oil. PubMed: Roles of the mushroom bodies in olfactory learning and photoperiodism in the blow fly Protophormia terraenovae. PubMed: Metabolism and biochemical effects of nicotine for primary care providers.