beta-ionyl acetate
3-buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
Identification
| Name | beta-ionyl acetate |
| IUPAC | 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate |
| CAS Number | 22030-19-9 |
| EINECS | 244-736-2 |
| FDA UNII | 5280A8WCRW |
| Molecular Formula | C15 H24 O2 |
| Molecular Weight | 236.35468000 |
| CoE Number | 10702 |
| XlogP3 | 3.50 (est) |
Regulatory
| JECFA Food Flavoring | 1409 beta-ionyl acetate |
| DG SANTE Food Flavourings | 09.305 beta-ionyl acetate |
| FEMA Number | 3844 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 22030-19-9 ; BETA-IONYL ACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 92.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.93400 to 0.94400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.772 to 7.855 |
| Refractive Index | 1.47500 to 1.48200 @ 20.00 °C. |
| Boiling Point | 120.00 °C. @ 2.00 mm Hg, 90.00 °C. @ 4.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w) | 4.890 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 24 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 1.00 % in ethyl alcohol. A raspberry note with natural connotations
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 1.00 - 20.00 ppm. Strong, fruity, floral
|
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-ionyl acetate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 9.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.15000 |
| beverages(nonalcoholic) | 0.05000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.50000 |
| condiments / relishes | - |
| confectionery froastings | 0.10000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | 0.07000 |
| gelatins / puddings | 0.20000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.25000 |
| imitation dairy | 0.10000 |
| instant coffee / tea | - |
| jams / jellies | 0.10000 |
| meat products | - |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 0.12000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Bedoukian Research, Inc.
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Potential Uses
Natural Occurrence
Synonyms
3-
buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
4-(2,6,6-
trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol acetate
4-(2,6,6-
trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl acetate
4-(2,6,6-
trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate
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