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coumarin
General Material Information
| Preferred name | coumarin |
| Trivial Name | Coumarin |
| Short Description | 1-benzopyran-2-one |
| Formula | C9 H6 O2 |
| CAS Number | 91-64-5 |
| ECHA Number | 202-086-7 |
| FDA UNII | A4VZ22K1WT |
| Nikkaji Number | J3.218B |
| Beilstein Number | 0383644 |
| MDL | MFCD00006850 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| FDA Mainterm | 91-64-5 ; COUMARIN--PROHIBITED |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| chromen-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 91-64-5 |
| Pubchem (cid): | 323 |
| Pubchem (sid): | 134971583 |
| Flavornet: | 91-64-5 |
| Pherobase: | View |
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 |
| Golm Metabolome Database: | Search |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C05851 |
| HMDB (The Human Metabolome Database): | HMDB01218 |
| FooDB: | FDB011938 |
| Export Tariff Code: | 2932.21.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 146.14521789551 |
| Melting Point | 68 to 74°C @ 760 mm Hg |
| Boiling Point | 297 to 301°C @ 760 mm Hg |
| Boiling Point | 161 to 162°C @ 14 mm Hg |
| Vapor Pressure | 0.1 mmHg @ 20 °C |
| Vapor Density | 5.1 |
| Flash Point TCC Value | 93 °C TCC |
| logP (o/w) | 1.39 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| kerosene | Yes |
| paraffin oil | Yes |
| water, 1900 mg/L @ 20 °C (exp) | Yes |
| water | No |
| isopropyl myristate | No |
| Stability | |
| non-discoloring | Unspecified |
Organoleptic Properties
| Odor Type: Tonka | |
| sweet, hay, tonka, hay new mown hay, coumarinic | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 364 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1982) | At 10.00 % in dipropylene glycol. sweet hay tonka new mown hay |
| General comment | Sweet, stinging, coconut note |
| Arctander describes it as “Sweet, herbaceous-warm, somewhat spicy odor, in extreme dilution more haylike, nut- Iike, tobacco-like… Extensively used in perfumery to support herbaccous odors, Lavender, Lavandin, Rosemary, Citrus oils, Oakmoss, etc., and as a fixative in numerous types of fragrances; Almost a standard ingredient in Fougère types with Amylsalicylate and Lavender-notes, with or without Oakmoss.” | Sweet, hay, tonka, new-mown-hay |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European 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. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 3), H301 Acute aquatic toxicity (Category 3), H402 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Danger |
| Hazard statement(s) | |
| H301 - Toxic if swallowed H402 - Harmful to aquatic life H412 - Harmful to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P301 + P310 - IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P321 - Specific treatment (see supplemental first aid instructions on this label). P330 - Rinse mouth. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| 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 BEHAVIORAL: ANALGESIA Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 897, 1965. oral-guinea pig LD50 202 mg/kg LIVER: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-man TDLo 87 mg/kg/17W-I LIVER: LIVER FUNCTION TESTS IMPAIRED 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 | |
Safety in use information
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | |||
| Dermal sensitization and systemic toxicity | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.089 % | |||
| Category 2: Products applied to the axillae | |||
| 0.080 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.089 % | |||
| Category 4: Products related to fine fragrance | |||
| 1.50 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.38 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.11 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.16 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.035 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.0024 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.18 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.18 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.035 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.52 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.52 % | |||
| Category 10B: Household aerosol/spray products | |||
| 1.60 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.035 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.035 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 33.00 % | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Recommendation for coumarin flavor usage levels up to: | |||
| not for flavor use. | |||
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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA GENetic TOXicology: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 |
| chromen-2-one |
| Chemidplus:0000091645 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:91-64-5 |