tobacco note - coumarin and myrrh resinoid. effective in reducing edema following crush & thermal injury; coumarin itself occurs in the tonka bean (dipteryx).
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Fragrance Demo Formulas
chromen-2-one (Click)
CAS Number: 91-64-5
ECHA EINECS - REACH Pre-Reg: 202-086-7
Nikkaji Web: J3.218B
Beilstein Number: 0383644
MDL: MFCD00006850
XlogP3: 1.40 (est)
Molecular Weight: 146.14522000
Formula: C9 H6 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
FDA Regulation:
Subpart C--Substances Generally Prohibited From Direct Addition or Use as Human Food
Sec. 189.130 Coumarin.
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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
Boiling Point: 161.00 to  162.00 °C. @ 14.00 mm Hg
Congealing Point: 68.00 °C.
Vapor Pressure: 0.100000 mm/Hg @ 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.
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Organoleptic Properties:
Odor Type: tonka
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet hay tonka new mown hay
Substantivity: 364 hour(s) at 10.00 % in dipropylene glycol
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
Xn - Harmful.
  R 22 - Harmful if swallowed.
R 43 - May cause sensitisation by 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.
Oral/Parenteral Toxicity:
  oral-rat LD50  293 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 385, 1974.

oral-mouse LD50  196 mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 1124, 1963.

intraperitoneal-mouse LD50  220 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 897, 1965.

oral-guinea pig LD50  202 mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-man TDLo  87 mg/kg/17W-I
Human Toxicology. Vol. 8, Pg. 501, 1989.

Dermal Toxicity:
  subcutaneous-mouse LD50 242 mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 1124, 1963.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.10 % (1)
Category 2:  0.13 %
Category 3:  0.50 %
Category 4:  1.60 %
Category 5:  0.80 %
Category 6:
See Note (1)
2.50 % (1)
Category 7:  0.30 %
Category 8:  2.00 %
Category 9:  5.00 %
Category 10:  2.50 %
Category 11: See Note (2)

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (


(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

Recommendation for coumarin flavor usage levels up to:
 not for flavor use.
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Safety References:
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Coumarin.
View page or View pdf
Coumarin in flavourings and other food ingredients with flavouring properties - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
EPI System: View
NIOSH International Chemical Safety Cards: search
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
Carcinogenic Potency Database: Search
EPA GENetic TOXicology: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 91-64-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 323
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
WISER: UN 2811
WGK Germany:1
Chemidplus: 0000091645
EPA/NOAA CAMEO:hazardous materials
RTECS: 91-64-5
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NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 91-64-5
Pubchem (cid): 323
Pubchem (sid): 134971583
Flavornet: 91-64-5
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
Golm Metabolome Database: Search
Metabolomics Database: Search
KEGG (GenomeNet): C05851
HMDB (The Human Metabolome Database): HMDB01218
Export Tariff Code: 2932.21.0000
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 armoise oilFR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 cananga oilFL/FR
 caramel furanoneFL
 croton eluteria bark oilFL/FR
 apium graveolens seed oil indiaFL/FR
 civet absoluteFL/FR
 copaiba balsam oilFL/FR
 costus valerolactoneFR
 cubeb oilFL/FR
 diphenyl methaneFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 ginger root oil chinaFL/FR
 guaiacwood oilFL/FR
 hay absoluteFR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
 heptyl heptanoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 immortelle absoluteFL/FR
 cistus ladaniferus resinoidFR
abrialis lavandin oilFL/FR
 lavender oilFL/FR
 linalyl acetateFL/FR
 levisticum officinale root oilFL/FR
 methyl (E)-cinnamateFL/FR
para-methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
6-methyl coumarinFL
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
alpha-naphthyl methyl ketoneFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 origanum oil greeceFL/FR
 orris rhizome absolute (iris pallida)FL/FR
 palmarosa oilFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peru balsam oilFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propionaldehydeFL/FR
 raspberry ketoneFL/FR
 rosemary oil spainFL/FR
 sandalwood oilFL/FR
 spruce needle oil canadaFL/FR
 styrax resinoid (liquidambar styraciflua)FL/FR
 tobacarol (IFF)FR
 tolu balsamFL/FR
 tonka bean absoluteFR
 treemoss absoluteFR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
 veramoss (IFF)FR
 vetiver oil haitiFL/FR
 watermelon ketoneFR
 woody acetateFR
(Z)-woody amyleneFR
 woody propanolFR
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Potential Uses:
 a suma 
 acacia cassie farnesianaFR
 baby powderFR
 bay rumFR
 beeswax cire d'abeilleFL/FR
 blue grass 
 blue mist 
 bubble gumFR
 carnation dianthus oeilletFR
 chanel #5 
 cherry blossomFR
 chocolate cocoa 
 christmas blendsFR
 clover trefle le'trefle incarnatFR
 coconut tropicalFR
 crabapple blossomFR
 elder flowerFR
 fern fougereFR
 fir needle pine needleFL/FR
 forest pine forestFR
 frangipanni plumeriaFR
 grass sweetFR
 hay new mown hay foin coupeFR
 honeysuckle chevrefeuilleFR
 immortelle helichrysum everlastingFL/FR
 je reviens 
 juniper berryFR
 leather russianFR
 meadow countryFR
 my sin 
 orange blossomFR
 outdoors freshFR
 passion blossomFR
 pina coladaFR
 poppy redFR
 pumpkin pieFR
 sweet peaFR
 tonka beanFR
 vol de nuit 
 windsor soap 
 wisteria wistaria glycineFR
 woodruff asperulaFR
 ylang ylangFR
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Natural Occurrence in: note
 bilberry - 0.0005 mg/kg
GRIN Trop Picture
 cassia leaf oil - up to 83,300 mg /kg
GRIN Trop Picture
 champaca concrete @ 0.01%
Data  GC  GRIN Trop Picture
 cichorium intybus l. root extract @ 0.20%
Data  GC  GRIN Trop Picture
 cinnamon bark oil - 7000 mg/kg
GRIN Trop Picture
 cinnamon bark oil (cinnamomum zeylanicum blume) india @ 0.41%
Data  GC  GRIN Trop Picture
 cinnamon leaf oil - 40,600 mg/kg
GRIN Trop Picture
 cinnamon twig oil @ 0.32%
Data  GC  GRIN Trop Picture
 honey buckwheat honey
 lavandin absolute grosso @ 7.70%
Data  GC  GRIN Trop Picture
 lavandin water (lavandula hydrida) @ 0.08%
Data  GC  GRIN Trop Picture
 lavender oil - 20 mg/kg
GRIN Trop Picture
 lavender spike water @ 0.06%
Data  GC  GRIN Trop Picture
 lavender water bulgaria @ 0.19%
Data  GC  GRIN Trop Picture
GRIN Trop Picture
 peppermint oil - 20 mg/kg
GRIN Trop Picture
 tea green tea - 1.2 – 1.7 mg/kg
 tonka bean
GRIN Trop Picture
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2H-1-benzopyran, 2-oxo-
cis-o-coumaric acid anhydride
 coumarin (ex tonka beans)
 coumarin crystals
 coumarin natural
 coumarin powder 60 mesh
 coumarin, chinese
 coumarin, japan
 coumarine ( ex china )
 coumarine rhodiantal
(Z)-o-coumarinic acid lactone
(Z)-ortho-coumarinic acid lactone
 coumarinic anhydride
 coumarinic lactone
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
2-propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone
2-propenoic acid, 3-(2-hydroxyphenyl)-d-lactone
 tonka bean camphor
Synonyms   Articles   Notes   Search   Top
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.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Similar Items: note
(±)-dihydromint lactone
tonka ketone
tonka furanone
Soluble in:
 paraffin oil
 water, 1900 mg/L @ 20 °C (exp)
Insoluble in:
 isopropyl myristate
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