valencene
(1R,7R,8aS)- 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methyl ethenyl) naphthalene
Identification
| Name | valencene |
| IUPAC | (2R)-8,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,6,7-hexahydronaphthalene |
| EINECS | 225-047-6 |
| FDA UNII | Search |
| Molecular Formula | C15 H24 |
| Molecular Weight | 204.35628000 |
| MDL Number | MFCD00075884 |
| Nikkaji Number | J2.117.859D |
| Beilstein | 3539153 |
| CoE Number | 11030 |
Regulatory
| JECFA Food Flavoring | 1337 valencene |
| DG SANTE Food Flavourings | 01.017 valencene |
| FEMA Number | 3443 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4630-07-3 ; VALENCENE |
Physical Properties
| Appearance | pale yellow to yellow clear liquid (est) |
| Assay | 94.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.91000 to 0.92200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.572 to 7.672 |
| Refractive Index | 1.49800 to 1.51000 @ 20.00 °C. |
| Boiling Point | 123.00 °C. @ 11.00 mm Hg, 274.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w) | 6.494 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 336 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. sweet, fresh citrus, grapefruit, woody, orange Orange, citrus, woody sweet fresh citrus grapefruit woody orange asprin dry green oily
|
| Odor sample from | CA Aromatics Company Inc. |
| Taste Description |
orange citrus fruity juicy citrus peel peely woody Characteristic juicy orange, slightly woody backnotes orange, citrusy, warm and woody orange, sweet, woody
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M] > 5000 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 |
| Recommendation for valencene usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 53.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 26.00 (μg/capita/day) |
| Threshold of Concern | 1800 (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 | - |
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