delta-damascone
1-2,6,6-trimethyl-3-cyclohexen-1-yl-2-buten-1-one
Identification
| Name | delta-damascone |
| IUPAC | 1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one |
| CAS Number | 57378-68-4 |
| EINECS | 260-709-8 |
| FDA UNII | 7F4RIE5P7E |
| Molecular Formula | C13 H20 O |
| Molecular Weight | 192.30160000 |
| MDL Number | MFCD00489848 |
| Nikkaji Number | J65.767K |
| Beilstein | 1939321 |
Regulatory
| JECFA Food Flavoring | 386 delta-damascone |
| DG SANTE Food Flavourings | 07.130 delta-damascone |
| FEMA Number | 3622 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 57378-68-4 ; DELTA-DAMASCONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.50 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92000 to 0.94000 @ 25.00 °C., 0.92700 to 0.93500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.655 to 7.822 |
| Pounds per Gallon - est. | 7.723 to 7.789 |
| Refractive Index | 1.48500 to 1.50200 @ 20.00 °C. |
| Boiling Point | 263.59 °C. @ 760.00 mm Hg (est) |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.200 |
| Shelf Life | 36.00 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 |
| Stability | fine fragrances: traces - 0.1% |
Cosmetic Information
| CosIng | ['cosmetic data2', 'cosmetic data'] |
| Cosmetic Uses | fragrance |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 220 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Woody, minty, sweet and fruity, with a brown herbal nuance Blackcurrant (cassis), fruity note of exceptional diffusion. Very good in trace amounts a rose/tobacco effect. Member of the rose ketone family. A fruity, apple, rose earthy note A diffusive rosy note. More fruity and less rosy than DAMASCONE ALPHA powerful, fruity (black currant, cassis), floral; less natural than beta-damascone or damascenone Earthy, Floral, Fruity, Tobacco, Woody Fruity-plum, apple, sweet-rose, natural, cassis, tobacco
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description | at 30.00 ppm. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 1821 mg/kg |
| Dermal Toxicity | Not determined |
| 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 |
| fragrance material specification | Should not be used as fragrance ingredients such that the total level in finished cosmetic products exceeds 0.02%, individually or in combination. Based on test data showing sensitising potential for these materials and on evidence of cross-reactivity. (IFRA guidelines) |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%) | Category 1: Products applied to the lips |
| Notes | IFRA FLAVOR REQUIREMENTS: |
| use level in formulae for use in cosmetics | 0.0940 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0024 mg/kg/day (IFRA, 2002) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.31 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.60 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 2.57 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | - |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.01000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.00500 |
| Bakery wares (07.0) | 0.00500 |
| Meat and meat products, including poultry and game (08.0) | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | - |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.00500 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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