Articles:
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3-buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
Notes:
Flavouring agent
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Bedoukian Research, Inc. Perfecting the Art of Chemistry Working closely with our customers to meet their requirements. Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Instagram Linkedin Recent News Products List: View Product(s): 266 beta-IONYL ACETATE ≥92.0%, Kosher SDS Can be used to enhance rose complexes due to its berry character.
Used in raspberry for seedy notes and for jammy strawberry flavors.
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 22030-19-9 beta-IONYL ACETATE 92.0%
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 09-05600 BETA-IONYL ACETATE
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| 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 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:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1409 beta-ionyl acetate |
| DG SANTE Food Flavourings: | 09.305 beta-ionyl acetate |
| FEMA Number: | 3844 beta-ionyl acetate |
| 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 |
| 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) |
| 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:
| None found |
Suppliers:
| Bedoukian Research |
| beta-IONYL ACETATE
≥92.0%, Kosher Odor: A raspberry note with natural connotations Use: Can be used to enhance rose complexes due to its berry character. Flavor: Strong, fruity, floral Used in raspberry for seedy notes and for jammy strawberry flavors. |
| BOC Sciences |
| For experimental / research use only. |
| beta-IONYL ACETATE 92.0% |
| Parchem |
| beta-ionyl acetate |
| Penta International |
| BETA-IONYL ACETATE |
Safety Information:
| 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:
| 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 22030-19-9 |
| Pubchem (cid): | 90720 |
| Pubchem (sid): | 135048472 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB38027 |
| FooDB: | FDB017237 |
| Export Tariff Code: | 2915.39.9500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| berry | FR | |
| cherry | FR | |
| fruit tropical fruit | FL | |
| jam | ||
| plum | FR | |
| raisin | FR | |
| raspberry | FR | |
| strawberry jam | ||
| tea | FL |
Occurrence (nature, food, other): note
| found in nature |
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 |