coumarin
1-benzopyran-2-one
Identification
| Name | coumarin |
| IUPAC | chromen-2-one |
| CAS Number | 91-64-5 |
| EINECS | 202-086-7 |
| FDA UNII | A4VZ22K1WT |
| Molecular Formula | C9 H6 O2 |
| Molecular Weight | 146.14522000 |
| MDL Number | MFCD00006850 |
| Nikkaji Number | J3.218B |
| Beilstein | 0383644 |
| XlogP3 | 1.40 (est) |
Regulatory
| FDA Mainterm (SATF) | 91-64-5 ; COUMARIN--PROHIBITED |
| FDA Regulation | FDA 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
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming 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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 293 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LD50 242 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| IFRA Critical Effect | Dermal sensitization and systemic toxicity |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%) | Category 1: Products applied to the lips |
| Notes | IFRA FLAVOR REQUIREMENTS: |
| Recommendation for coumarin flavor usage levels up to | not for flavor use. |
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