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5-isopropenyl-2-methyl-2-vinyltetrahydrofuran
Notes:
Blends well with citrus and green notes. Flavouring ingredient. Present in coriander oil, clary sage oil, wine, brandy, coffee and muscat grape juice. Also isol. from passionfruit and sour cherry extracts as artifact from terpene alcohol precursors
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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): 13679-86-2 DEHYDROXYLINALOOL OXIDE 97.0% (sum of isomers)
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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): 09-52500 5-ISOPROPENYL-2-METHYL-2-VINYL TETRAHYDROFURAN
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): I0744 2-Isopropenyl-5-methyl-5-vinyltetrahydrofuran (mixture of isomers) >97.0%(GC)
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| CAS Number: | 13679-86-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 237-184-9 | |
| FDA UNII: | F2S8JZM40P | |
| Nikkaji Web: | J277.988I | |
| MDL: | MFCD00065422 | |
| CoE Number: | 11944 | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 152.23672000 | |
| Formula: | C10 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Name in Union List to be changed to anhydrolinalool oxide (5-ring) Mixture of enantiomers (EFFA, 2010). 25% of each (EFFA, 2012b). | |
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: | 1455 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran |
| DG SANTE Food Flavourings: | 13.097 anhydrolinalool oxide (5) |
| FEMA Number: | 3759 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 13679-86-2 ; 5-ISOPROPENYL-2-METHYL-2-VINYLTETRAHYDROFURAN |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87400 to 0.87800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.273 to 7.306 |
| Refractive Index: | 1.44900 to 1.45400 @ 20.00 °C. |
| Boiling Point: | 167.00 to 168.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 70.00 °C. @ 23.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 13.400000 mmHg @ 25.00 °C. |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 115.00 °F. TCC ( 46.11 °C. ) |
| logP (o/w): | 2.929 (est) |
| Soluble in: | |
| alcohol | |
| water, 78.78 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium |
| Substantivity: | > 4 hour(s) at 100.00 % |
| green minty spicy herbal rosemary phenolic | |
| Odor Description: at 100.00 %. | green minty spice herbal rosemary phenolic Luebke, William tgsc, (1985) |
| green cooling spicy herbal terpenic minty | |
| Odor Description: | Green, cooling spice, herbaceous, with a terpy and minty nuance Mosciano, Gerard P&F 15, No. 6, 35, (1990) |
| Flavor Type: woody | |
| woody pine spicy minty green citrus | |
| Taste Description: | Woody, piney, spicy, minty with a green citrus nuance Mosciano, Gerard P&F 15, No. 6, 35, (1990) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| DEHYDROXY LINALOOL OXIDE ≥95.0% (sum of isomers), Kosher | |
| Odor Description: | A green, cooling, spicy, herbaceous odor with a mint nuance Used in eucalyptus and mint compositions. |
| Taste Description: | Lemon/lime character similar to lemon/lime carbonated soft drink, with green bean aftertaste Lemon/lime type flavor and can also add citrus notes to a variety of flavors including peach and mango. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| DEHYDROXYLINALOOL OXIDE 97.0% (sum of isomers) |
| Penta International |
| 5-ISOPROPENYL-2-METHYL-2-VINYL TETRAHYDROFURAN |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 5-IsoPropenyl-2-methyl-2-vinyltetrahydrofuran |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran |
| TCI AMERICA |
| For experimental / research use only. |
| 2-Isopropenyl-5-methyl-5-vinyltetrahydrofuran (mixture of isomers) >97.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. 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: | |
|
oral-mouse LD50 1000 - 2000 mg/kg (Bonetti, 1983) | |
| 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 dehydroxylinalool oxide usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.03 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 15 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.02000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.09000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.10000 | |
| fruit ices: | - | 0.12000 | |
| gelatins / puddings: | - | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.12000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.12000 | |
| meat products: | - | - | |
| milk products: | - | 0.10000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| 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 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008) View page or View pdf | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 75, Revision 1 (FGE.75Rev1): Consideration of tetrahydrofuran derivatives evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 13679-86-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61665 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 1 |
| 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane | |
| Chemidplus: | 0013679862 |
References:
| 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13679-86-2 |
| Pubchem (cid): | 61665 |
| Pubchem (sid): | 135017605 |
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): | HMDB37172 |
| FooDB: | FDB016168 |
| Export Tariff Code: | 2932.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| aldehydic | FR | |
| berry | FR | |
| berry | FR | |
| blueberry | FR | |
| citrus | FR | |
| eucalyptus oil replacer | FR | |
| grape | FR | |
| green | FR | |
| herbal | FR | |
| lime | FR | |
| mango | FR | |
| mint | FR | |
| pepper | FR | |
| pine | FR | |
| spice | FR | |
| tea | FL | |
| topnotes | ||
| tropical | FL | |
| woody | FR |
Occurrence (nature, food, other): note
| brandy Search PMC Picture | |
| buchu oil Search Trop Picture | |
| cherimoya Search Trop Picture | |
| coffee Search PMC Picture | |
| coriander oil Search Trop Picture | |
| grape muscat grape juice Search PMC Picture | |
| grapefruit juice Search Trop Picture | |
| honey Search PMC Picture | |
| loganberry fruit Search Trop Picture | |
| osmanthus Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| passion fruit Search Trop Picture | |
| petitgrain oil @ 0.10% Data GC Search Trop Picture | |
| sage clary sage Search Trop Picture | |
| sage clary sage Search Trop Picture | |
| wine white wine Search PMC Picture |
Synonyms:
| anhydrolinalool oxide | |
| anhydrolinalool oxide (5) | |
| dehydroxy linalool oxide | |
| dehydroxylinalool oxide | |
| desoxide | |
| 2- | ethenyl tetrahydro-2-methyl-5-(1-methyl ethenyl) furan |
| 2- | ethenyl-2-methyl-5-(1-methyl ethenyl) tetrahydrofuran |
| 2- | ethenyl-2-methyl-5-(1-methylethenyl)tetrahydrofuran |
| 2- | ethenyl-2-methyl-5-(prop-1-en-2-yl)tetrahydrofuran |
| 2- | ethenyl-2-methyl-5-prop-1-en-2-yloxolane |
| 2- | ethenyltetrahydro-2-methyl-5-(1-methylethenyl)furan |
| furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)- | |
| furan, tetrahydro-5-isopropenyl-2-methyl-2-vinyl- | |
| herboxide | |
| 2- | methyl-2-vinyl-5-isopropenyl tetrahydrofuran |
| 2- | methyl-2-vinyl-5-isopropenyltetrahydrofuran |
| 2- | methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran |
| 5-iso | prenyl-2-methyl-2-vinyl tetrahydrofurane |
| 5-iso | prenyl-2-methyl-2-vinyltetrahydrofurane |
| 5-iso | propenyl-2-methyl-2-vinyl tetrahydrofuran |
| 5-iso | propenyl-2-methyl-2-vinyltetrahydrofuran |
| 2-iso | propenyl-5-methyl-5-vinyltetrahydrofuran |
| tetrahydro-5-isopropenyl-2-methyl-2-vinyl furan | |
| tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran |