| Name: | 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate |
| CAS Number: | 22030-19-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 244-736-2 |
| FDA UNII: | 5280A8WCRW |
| CoE Number: | 10702 |
| XlogP3: | 3.50 (est) |
| Molecular Weight: | 236.35468000 |
| Formula: | C15 H24 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Also(can) Contains: | acetic acid 2.00% to 5.00% |
| | beta-ionol 1.00% to 2.00% |
| EFSA/JECFA Comments: |
| At least 92%; secondary components 2-5% acetic acid and 1-2% beta-ionol. (EFSA)
Acc. to JECFA: Min. assay value is ”92 %” and secondary components ”2-3 % acetic acid; 1-2 % beta-ionol”. Racemate, the double bond is mainly E-isomer: E/Z ratio about 50-70%/30-50%. (EFFA, 2014). |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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
|
| Boiling Point: | 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 | | | water, 0.4191 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: floral |
| Odor Strength:medium |
| Substantivity:24 hour(s) at 100.00 % |
| sweet berry raspberry violet jammy woody |
Odor Description:at 100.00 %. sweet berry raspberry violet jam woody
Luebke, William tgsc, (1995) |
| Odor sample from: Bedoukian Research, Inc. |
| sweet woody raspberry floral seedy jammy strawberry |
Odor Description:at 1.00 % in ethyl alcohol. Sweet, woody, ionone-type raspberry notes with floral, seedy and jammy strawberry nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000) |
| Flavor Type: woody |
| woody floral raspberry berry jammy floral |
Taste Description: at 1.00 - 20.00 ppm. Woody, slightly floral ionone raspberry/berry-like character with jammy floral nuances
Mosciano, Gerard P&F 25, No. 1, 49, (2000) |
| Odor and/or flavor descriptions from others (if found). |
| Bedoukian Research |
| beta-IONYL ACETATE ≥92.0%, Kosher |
Odor Description:A raspberry note with natural connotations
Can be used to enhance rose complexes due to its berry character. |
Taste Description:Strong, fruity, floral
Used in raspberry for seedy notes and for jammy strawberry flavors. |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
|
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
|
Not determined
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| 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 |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 18 |
| Click here to view publication 18 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.15000 | 3.00000 |
| beverages(nonalcoholic): | 0.05000 | 1.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 0.50000 | 5.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 0.10000 | 2.00000 |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | 0.10000 | 2.00000 |
| fruit ices: | 0.07000 | 1.50000 |
| gelatins / puddings: | 0.20000 | 2.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 0.25000 | 4.00000 |
| imitation dairy: | 0.10000 | 2.00000 |
| instant coffee / tea: | - | - |
| jams / jellies: | 0.10000 | 2.00000 |
| meat products: | - | - |
| milk products: | 0.10000 | 2.00000 |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | 0.12000 | 2.50000 |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
|
European Food Safety Authority (EFSA) reference(s):
|
Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73,
Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols,
aldehydes, acids and related esters evaluated by JECFA
(59th and 63rd meeting) structurally related to primary
saturated or unsaturated alicyclic alcohols, aldehydes,
acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):22030-19-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :90720 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate |
| Chemidplus:0022030199 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
|
