dihydrocoumarin
3,4-dihydrocoumarin
Identification
| Name | dihydrocoumarin |
| IUPAC | chroman-2-one |
| CAS Number | 119-84-6 |
| EINECS | 204-354-9 |
| FDA UNII | NM5K1Y1BT2 |
| Molecular Formula | C9 H8 O2 |
| Molecular Weight | 148.16116000 |
| MDL Number | MFCD00006881 |
| Nikkaji Number | J36.832F |
| Beilstein | 0004584 |
| CoE Number | 535 |
Regulatory
| JECFA Food Flavoring | 1171 dihydrocoumarin |
| DG SANTE Food Flavourings | 13.009 3,4-dihydrocoumarin |
| FEMA Number | 2381 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 119-84-6 ; DIHYDROCOUMARIN |
Physical Properties
| Appearance | colorless to pale yellow clear liquid to solid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.18600 to 1.19200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.869 to 9.919 |
| Refractive Index | 1.54000 to 1.58000 @ 20.00 °C. |
| Melting Point | 24.00 to 25.00 °C. @ 760.00 mm Hg |
| Boiling Point | 271.00 to 272.00 °C. @ 760.00 mm Hg |
| Congealing Point | 23.00 °C. |
| Acid Value | 5.00 max. KOH/g |
| Vapor Pressure | 4.000000 mmHg @ 25.00 °C. |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 2.428 (est) |
| 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 |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 228 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, creamy, coconut, coumarin, vanilla with a slight spice nuance almond; coconut; creamy; herbaceous; sweet; vanilla; nutty; tobacco. sweet, cocoa sweet rose coumarin tonka herbal sweet aromatic coumarin coconut Sweet, vanilla with bright notes of beans SWEET, AROMATIC, COUMARIN, CINNAMON
|
| Odor sample from | Elan Inc. |
| Taste Description |
creamy coconut coumarinic vanilla cinnamyl balsamic spicy cardamom at 10.00 ppm. sweet creamy vanilla coconut milky sweet, vanilla, milk
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 20 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 1460 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 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 | flavor and 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: |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1200.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 1111.00 (μg/capita/day) |
| Structure Class | III |
| baked goods | 141.00000 |
| beverages(nonalcoholic) | 25.00000 |
| beverages(alcoholic) | 0.30000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 20.00000 |
| condiments / relishes | 10.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 95.00000 |
| fruit ices | - |
| gelatins / puddings | 116.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 8.00000 |
| 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 | 111.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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