Articles:
4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-ol
Notes:
Present in loganberry, Chinese quince oil, yellow passion fruit, Chinese scented green tea. Flavouring ingredient.
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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): 3293-47-8 alpha,2,6,6-Tetramethylcyclohexene-1-propan-1-ol 95%
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 3293-47-8 |  3D/inchi
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| Other(deleted CASRN): | 98353-28-7 | |
| ECHA EINECS - REACH Pre-Reg: | 221-957-2 | |
| FDA UNII: | S3T0WG30TW | |
| Nikkaji Web: | J24.332I | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 196.33348000 | |
| Formula: | C13 H24 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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: | 395 dihydro-beta-ionol |
| DG SANTE Food Flavourings: | 02.107 dihydro-beta-ionol |
| FEMA Number: | 3627 dihydro-beta-ionol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3293-47-8 ; DIHYDRO-BETA-IONOL |
Physical Properties:
| Appearance: | white solid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 38.00 to 40.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 234.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 4.634 (est) |
| Soluble in: | |
| alcohol | |
| water, 10.43 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| woody floral amber | |
| Odor Description: at 100.00 %. | woody floral amber |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1-Cyclohexene-1-propanol,a,2,6,6-tetramethyl- |
| BOC Sciences |
| For experimental / research use only. |
| alpha,2,6,6-Tetramethylcyclohexene-1-propan-1-ol 95% |
| Parchem |
| Dihydro-beta-ionol |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for dihydro-beta-ionol usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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: | - | 9.00000 | |
| beverages(nonalcoholic): | - | 3.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 12.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 6.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 4.50000 | |
| gelatins / puddings: | - | 6.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 9.00000 | |
| imitation dairy: | - | 5.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 6.00000 | |
| meat products: | - | - | |
| milk products: | - | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 7.50000 | |
| 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 3293-47-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 579336 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-ol | |
| Chemidplus: | 0003293478 |
References:
| Leffingwell: | Chirality or Article |
| 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3293-47-8 |
| Pubchem (cid): | 579336 |
| Pubchem (sid): | 135275653 |
| 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): | HMDB36172 |
| FooDB: | FDB015026 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| balsam | FR | |
| beeswax absolute replacer | FR | |
| berry | FR | |
| blueberry | FR | |
| cassia | FR | |
| chypre | FR | |
| cranberry | FR | |
| cyclamen | FR | |
| diffusion | ||
| fir needle oil replacer | FR | |
| floral | FR | |
| fruit | FR | |
| genet | FR | |
| herbal | FR | |
| leather | FR | |
| leather russian leather | FR | |
| mimosa | FR | |
| moss | FR | |
| oriental | FR | |
| patchouli | FR | |
| prune | FR | |
| raspberry | FR | |
| rose | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| champaca absolute @ 1.10% Data GC Search Trop Picture | |
| champaca concrete @ 0.40% Data GC Search Trop Picture |
Synonyms:
| 1- | cyclohexene-1-propanol, a,2,6,6-tetramethyl- |
| dihydro beta-ionol | |
| dihydro-beta-ionol | |
| beta- | dihydroionol |
| alpha,2,6,6- | tetramethyl cyclohexene-1-propan-1-ol |
| tetramethyl cyclohexene-1-propanol | |
| 4-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-2-butanol |
| 4-2,6,6- | trimethyl-1-cyclohexenyl butan-2-ol |
| 4-(2,6,6- | trimethyl-1-cyclohexenyl)butan-2-ol |
| 4-(2,6,6- | trimethyl-cyclohex-1-enyl)-butan-2-ol |
| 4-(2,6,6- | trimethylcyclohex-1-en-1-yl)butan-2-ol |