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4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol
Notes:
Used as a food additive [EAFUS] Present in grape and raspberry. 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): 260 alpha-IONOL ≥90.0%, Kosher SDS For woody, vetiver, violet applications.
Used in cherry, berry and spice flavors.2601 alpha-IONOL, NO ANTIOXIDANT For woody, vetiver, violet applications.
Used in cherry, berry and spice flavors.260-95 alpha-IONOL For woody, vetiver, violet applications.
Used in cherry, berry and spice 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): 25312-34-9 alpha-IONOL 90.0%
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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): 09-03895 IONOL, ALPHA
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| CAS Number: | 25312-34-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 246-815-7 | |
| FDA UNII: | 4QI2W5Y52K | |
| Nikkaji Web: | J181.800G | |
| Beilstein Number: | 2327829 | |
| MDL: | MFCD00036594 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 194.31754000 | |
| Formula: | C13 H22 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-alpha-ionol | |
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: | 391 alpha-ionol |
| DG SANTE Food Flavourings: | 02.105 4-(2,6,6-trimethyl-2-cyclohexenyl)but-3-en-2-ol |
| FEMA Number: | 3624 alpha-ionol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 25312-34-9 ; ALPHA-IONOL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91700 to 0.92400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.630 to 7.689 |
| Refractive Index: | 1.48800 to 1.49200 @ 20.00 °C. |
| Boiling Point: | 127.00 °C. @ 15.00 mm Hg |
| Boiling Point: | 70.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 200.00 °F. TCC ( 93.33 °C. ) |
| logP (o/w): | 4.492 (est) |
| Soluble in: | |
| alcohol | |
| water, 21.02 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| (E)-alpha-ionol | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 88 hour(s) at 100.00 % |
| tropical sweet floral violet woody | |
| Odor Description: at 100.00 %. | ionone tropical sweet floral violet woody Luebke, William tgsc, (1995) |
| berry sweet woody floral powdery | |
| Odor Description: | Berry, sweet ionone-like, with a woody floral powdery note Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
| Flavor Type: woody | |
| woody sweet berry | |
| Taste Description: at 10.00 ppm. | Woody ionone-like with a sweet perfume berry nuance Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| alpha-IONOL ≥90.0%, Kosher | |
| Odor Description: | Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones For woody, vetiver, violet applications. |
| Taste Description: | berry Used in cherry, berry and spice flavors. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| alpha-IONOL, NO ANTIOXIDANT
Odor: Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones Use: For woody, vetiver, violet applications. Flavor: melon Used in cherry, berry and spice flavors. |
| Bedoukian Research |
| alpha-IONOL
≥90.0%, Kosher Odor: Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones Use: For woody, vetiver, violet applications. Flavor: berry Used in cherry, berry and spice flavors. |
| Bedoukian Research |
| alpha-IONOL
Odor: Elegant violet, vetiver note for mellow ionone effect with woody (cedar) undertones Use: For woody, vetiver, violet applications. Flavor: floral Used in cherry, berry and spice flavors. |
| BOC Sciences |
| For experimental / research use only. |
| alpha-IONOL 90.0% |
| Creatingperfume.com |
| alpha-Ionol
Odor: Elegant violet, vetiver |
| Parchem |
| alpha-ionol |
| Penta International |
| IONOL, ALPHA |
| Perfumery Laboratory |
| ALPHA-IOLOL Bedoukian (alpha-IONOL Bedoukian)
Odor: Elegant, violet with soft vetiver notes |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| a-Ionol |
| Sigma-Aldrich |
| For experimental / research use only. |
| a-Ionol technical, ≥90% (GC) |
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: | |
|
oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988. | |
| Dermal Toxicity: | |
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skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 359, 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 alpha-ionol usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.61 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.06 (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: | - | 2.00000 | |
| fruit ices: | - | 1.50000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | 2.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| meat products: | - | - | |
| milk products: | - | 2.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.50000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1] View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 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): | 25312-34-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5363817 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol | |
| Chemidplus: | 0025312349 |
| RTECS: | EM9630050 for cas# 25312-34-9 |
References:
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 25312-34-9 |
| Pubchem (cid): | 5363817 |
| Pubchem (sid): | 135058835 |
| 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): | HMDB38731 |
| FooDB: | FDB018141 |
| 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:
| berry | FR | |
| cherry | FR | |
| nut | FL | |
| powder | FR | |
| raspberry | FR | |
| spice | FR | |
| vetiver | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| champaca concrete @ 0.10% Data GC Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture |
Synonyms:
| 3- | buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| a- | ionol |
| ionol, alpha | |
| 4-(2,6,6- | trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol |
| 4-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol |
| alpha-4-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol |
| alpha-4-2,6,6- | trimethyl-2-cyclohexenyl-3-buten-2-ol |
| 4-(2,6,6- | trimethyl-2-cyclohexenyl)-3-buten-2-ol |
| 4-(2,6,6- | trimethyl-2-cyclohexenyl)but-3-en-2-ol |
| 4-(2,6,6- | trimethylcyclohex-2-en-1-yl)but-3-en-2-ol |