cocoa hexenal
5-methyl-2-phenyl-2-hexenal
Identification
| Name | cocoa hexenal |
| IUPAC | (Z)-5-methyl-2-phenylhex-2-enal |
| EINECS | 244-602-3 |
| FDA UNII | Search |
| Molecular Formula | C13 H16 O |
| Molecular Weight | 188.26972000 |
| MDL Number | MFCD00036615 |
| Nikkaji Number | J1.272.450K |
| CoE Number | 10365 |
Regulatory
| JECFA Food Flavoring | 1472 5-methyl-2-phenyl-2-hexenal |
| DG SANTE Food Flavourings | 05.099 5-methyl-2-phenylhex-2-enal |
| FEMA Number | 3199 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 21834-92-4 ; 5-METHYL-2-PHENYL-2-HEXENAL |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97000 to 0.97600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.071 to 8.121 |
| Refractive Index | 1.53100 to 1.53600 @ 20.00 °C. |
| Boiling Point | 96.00 to 100.00 °C. @ 0.70 mm Hg, 290.00 to 291.00 °C. @ 760.00 mm Hg |
| Acid Value | 10.00 max. KOH/g |
| Vapor Pressure | 0.004000 mmHg @ 20.00 °C. |
| Vapor Density | 6.4 ( Air = 1 ) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 3.691 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 118 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Bitter cocoa, nutty, brown and green Distinctive cocoa aroma with mocha undertones cocoa sweet aromatic, cocoa- and chocolate connotation SWEET, CHOCOLATE, GREEN, ALDEHYDIC cocoa, chocolate, bitter, honey, aldehydic. Powerful Cocoa, chocolate, bitter, honey, aldehyde. Powerful
|
| Odor sample from | R C Treatt and Co Ltd |
| Taste Description |
bitter cocoa dark chocolate aldehydic coffee nutty honey green at 10.00 ppm. Strong cocoa powder notes chocolate , cocoa-like; bitter cocoa, honey, aldehydic, coffee and nutty with a green nuance
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 |
| Recommendation for cocoa hexenal usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 15.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 6.00 (μg/capita/day) |
| Structure Class | II |
| 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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