beta-homocyclocitral
2,6,6-trimethylcyclohex-1-en-1-acetaldehyde
Identification
| Name | beta-homocyclocitral |
| IUPAC | 2-(2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde |
| CAS Number | 472-66-2 |
| EINECS | 207-454-0 |
| FDA UNII | CQ51RNO61H |
| Molecular Formula | C11 H18 O |
| Molecular Weight | 166.26366000 |
| MDL Number | MFCD00012057 |
| Nikkaji Number | J196.191H |
| CoE Number | 10338 |
Regulatory
| FDA/DG SANTE Petitions, Reviews, Notices | EU SANCO |
| JECFA Food Flavoring | 978 2,6,6-trimethyl-1-cyclohexen-1-acetaldehyde |
| DG SANTE Food Flavourings | 05.112 2,6,6-trimethylcyclohex-1-en-1-acetaldehyde |
| FEMA Number | 3474 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 472-66-2 ; 2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-ACETALDEHYDE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 92.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87300 to 0.88500 @ 20.00 °C. |
| Pounds per Gallon - est. | 7.273 to 7.373 |
| Refractive Index | 1.48000 to 1.48700 @ 20.00 °C. |
| Boiling Point | 58.00 to 59.00 °C. @ 760.40 mm Hg |
| Vapor Pressure | 0.032000 mmHg @ 25.00 °C. (est) |
| Flash Point | 162.00 °F. TCC ( 72.22 °C. ) |
| logP (o/w) | 3.215 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 39 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Camphoraceous, cooling, woody, oily and fruity
|
| Odor sample from | Advanced Biotech. Inc. |
| Taste Description |
cooling woody terpenic weedy soapy citrus berry orris at 15.00 ppm.
|
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 beta-homocyclocitral usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 2.00 (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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