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4-(2,2,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
Notes:
Blends well with lavender and rose notes. Flavouring ingredient
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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): 265 beta-IONOL ≥94.0%, Kosher SDS Used in licorice, tobacco, woody blends. Compatible with rose and lavender.
Used for pitty note in stone fruits. Also adds body to blueberry, strawberry and pineapple 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): 22029-76-1 beta-IONOL 94.0%
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): BETA-IONOL 94%
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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): 09-03900 IONOL, BETA
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| CAS Number: | 22029-76-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 244-735-7 | |
| Nikkaji Web: | J146.841C | |
| Beilstein Number: | 1866761 | |
| MDL: | MFCD00036597 | |
| XlogP3: | 2.90 (est) | |
| Molecular Weight: | 194.31754000 | |
| Formula: | C13 H22 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-beta-ionol | |
| EFSA/JECFA Comments: | At least 92%; secondary components 3-8% ionol and ionone. (JECFA) | |
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: | 392 beta-ionol |
| DG SANTE Food Flavourings: | 02.106 4-(2,2,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol |
| FEMA Number: | 3625 beta-ionol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 22029-76-1 ; BETA-IONOL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92300 to 0.93000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.680 to 7.739 |
| Refractive Index: | 1.49600 to 1.50200 @ 20.00 °C. |
| Boiling Point: | 107.00 °C. @ 3.00 mm Hg |
| Boiling Point: | 80.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.000431 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 200.00 °F. TCC ( 93.33 °C. ) |
| logP (o/w): | 4.059 (est) |
| Soluble in: | |
| alcohol | |
| water, 16.29 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| (E)-beta-ionol | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 168 hour(s) at 100.00 % |
| sweet herbal floral violet tropical balsamic woody | |
| Odor Description: at 100.00 %. | sweet herbal floral violet tropical balsam woody Luebke, William tgsc, (1995) |
| sweet woody berry powdery floral fruity | |
| Odor Description: | Sweet, woody, berry, powdery, floral and fruity Mosciano, Gerard P&F 19, No. 2, 55, (1994) |
| Flavor Type: floral | |
| floral violet fruity woody berry powdery | |
| Taste Description: at 20.00 ppm. | Floral violet-like, fruity, woody, berry with powdery nuances Mosciano, Gerard P&F 19, No. 2, 55, (1994) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| beta-IONOL ≥94.0%, Kosher | |
| Odor Description: | Herbaceous, floral, balsamic Used in licorice, tobacco, woody blends. Compatible with rose and lavender. |
| Taste Description: | woody berry Used for pitty note in stone fruits. Also adds body to blueberry, strawberry and pineapple flavors. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| beta-IONOL
≥94.0%, Kosher Odor: Herbaceous, floral, balsamic Use: Used in licorice, tobacco, woody blends. Compatible with rose and lavender. Flavor: woody berry Used for pitty note in stone fruits. Also adds body to blueberry, strawberry and pineapple flavors. |
| BOC Sciences |
| For experimental / research use only. |
| beta-IONOL 94.0% |
| Lluch Essence |
| BETA-IONOL 94%
Odor: BALSAMIC, FLORAL, HERBACEOUS |
| Penta International |
| IONOL, BETA |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| β-Ionol |
| Sigma-Aldrich |
| For experimental / research use only. |
| β-Ionol technical, ≥90% (GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37 - Wear suitable protective clothing and gloves. | |
| 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: | |
|
oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 361, 1988. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 361, 1988. | |
| 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-ionol usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.73 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.50000 | |
| fruit ices: | - | 1.50000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | 1.50000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| meat products: | - | - | |
| milk products: | - | 1.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.50000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 1.00000 | 5.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 8.00000 | 50.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 2.00000 | 10.00000 | |
| Processed fruit (04.1): | 1.00000 | 5.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 1.00000 | 5.00000 | |
| Confectionery (05.0): | 5.00000 | 20.00000 | |
| Chewing gum (05.0): | 20.00000 | 100.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 1.00000 | 5.00000 | |
| Bakery wares (07.0): | 5.00000 | 20.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | 1.00000 | 5.00000 | |
| Sweeteners, including honey (11.0): | 1.00000 | 5.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 20.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.00000 | 5.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 1.00000 | 5.00000 | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 22029-76-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5373729 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol | |
| Chemidplus: | 0022029761 |
| RTECS: | EM9630000 for cas# 22029-76-1 |
References:
| 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 22029-76-1 |
| Pubchem (cid): | 5373729 |
| Pubchem (sid): | 135294325 |
| Pherobase: | View |
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): | HMDB36820 |
| FooDB: | FDB015768 |
| Export Tariff Code: | 2906.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| blueberry | FR | |
| hay new mown hay | FR | |
| licorice | FR | |
| pineapple | FR | |
| raspberry | FR | |
| strawberry | FR | |
| tobacco | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| champaca absolute @ 0.30% Data GC Search Trop Picture | |
| grape Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture |
Synonyms:
| 3- | buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| 2- | hydroxy-beta-ionone |
| b- | ionol |
| ionol, beta | |
| 4-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol |
| 4-2,6,6- | trimethyl-1-cyclohexenyl-3-buten-2-ol |
| 4-(2,6,6- | trimethyl-1-cyclohexenyl)-3-butene-2-ol |
| 4-(2,2,6- | trimethyl-1-cyclohexenyl)but-3-en-2-ol |
| 4-(2,6,6- | trimethyl-1-cyclohexenyl)but-3-en-2-ol |
| 4-(2,6,6- | trimethylcyclohex-1-en-1-yl)but-3-en-2-ol |