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cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane
Notes:
Used as a food additive [EAFUS]
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10717 2-isoButyl-4-methyl-1,3-dioxolane
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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): 09-43470 CIS & TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE 09-66900 ISOVALERALDEHYDE PROPYLENE GLYCOL ACETAL
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Prodasynth Made in Grasse Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry. Today we are also proud to say, we have created an important range of Natural Molecules which can be found in our Raw Material Compendium. The versatility of our small but efficient structure is one of our main strengths when trying to fulfill our clients' requirements. Email: Info: Email: Karine Cohen Voice: (33) 4 93 09 00 11 Fax: (33) 4 22 13 07 38 New Catalog Products List: View Product(s): isoVALERALDEHYDE PG ACETAL SUM OF ISOMERS > 97
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Certified Food Grade Products Product(s): W428600 2-Isobutyl-4-methyl-1,3-dioxolane, mixture of isomers, ≥97% SDS
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W0186 2-isoButyl-4-methyl-1,3-dioxolane
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. 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 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide. Email: Sales US Email: Sales Email: Global Business Voice: +81-3-5640-8878 Fax: +81-3-5640-8902 US Voice: 800-423-8616 US Fax: 888-520-1075 Tokyo Tel: 03-5640-8851 Tokyo Fax: 03-5640-8865 Facebook Twitter Instagram Linkedin RSS Product(s): I0896 2-Isobutyl-4-methyl-1,3-dioxolane >98.0%(GC)
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| 4-methyl-2-(2-methylpropyl)-1,3-dioxolane (Click)
IUPAC Name: 4-methyl-2-(2-methylpropyl)-1,3-dioxolane
Std.InChI: InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChI: InChI=1/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
Std.InChIKey: PDVLTWPJDBXATJ-UHFFFAOYSA-N
InChIKey: PDVLTWPJDBXATJ-UHFFFAOYAB
SMILES: CC1COC(O1)CC(C)C
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| CAS Number: | 18433-93-7 | 
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| ECHA EINECS - REACH Pre-Reg: | 242-309-5 | |
| FDA UNII: | TUG3U82JZS | |
| Nikkaji Web: | J266.170E | |
| MDL: | MFCD00238528 | |
| XlogP3-AA: | 2.00 (est) | |
| Molecular Weight: | 144.21392000 | |
| Formula: | C8 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Mixture of ((R/R), (R/S), (S/R) & (S/S) in equal ratios) (EFFA, 2010a). | |
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 |
| JECFA Food Flavoring: | 1732 isovaleraldehyde propyleneglycol acetal |
| Flavis Number: | 06.135 (Old) |
| DG SANTE Food Flavourings: | 06.135 2-isobutyl-4-methyl-1,3-dioxolane |
| FEMA Number: | 4286 cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane |
| FDA Mainterm: | CIS- AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE |
Physical Properties:
Organoleptic Properties:
| Odor Type: ethereal | |
| Odor Strength: | medium |
| Substantivity: | 3 hour(s) at 100.00 % |
| sweet ethereal fruity tropical rummy sour ripe dairy buttery | |
| Odor Description: at 100.00 %. | sweet ethereal fruity tropical rummy sour ripe dairy buttery Luebke, William tgsc, (2008) |
| Flavor Type: fruity | |
| fruity ethereal tutti frutti tropical rummy ripe | |
| Taste Description: | fruity ethereal tutti frutti tropical rummy ripe |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Apple Flavor & Fragrance |
| Isovaleraldehyde PG Acetal |
| Beijing Lys Chemicals |
| 2-isoButyl-4-methyl-1,3-dioxolane |
| BOC Sciences |
| For experimental / research use only. |
| isoValeraldehyde Propylene Glycol Acetal |
| Inoue Perfumery |
| ISOVALER ALDEHYDE PG ACETAL |
| Penta International |
| CIS & TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE |
| Penta International |
| ISOVALERALDEHYDE PROPYLENE GLYCOL ACETAL |
| Prodasynth |
| isoVALERALDEHYDE PG ACETAL
SUM OF ISOMERS > 97 Odor: FRUITY,FATTY,TROPICAL,RUM,ETHEREAL |
| Sigma-Aldrich |
| 2-Isobutyl-4-methyl-1,3-dioxolane, mixture of isomers, ≥97% |
| Certified Food Grade Products |
| Synerzine |
| 2-isoButyl-4-methyl-1,3-dioxolane |
| TCI AMERICA |
| For experimental / research use only. |
| 2-Isobutyl-4-methyl-1,3-dioxolane >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| 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 | ||
| Recommendation for isovaleraldehyde propylene glycol acetal usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.20 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 15.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 50.00000 | |
| beverages(alcoholic): | 5.00000 | 10.00000 | |
| breakfast cereal: | 1.00000 | 50.00000 | |
| cheese: | 1.00000 | 50.00000 | |
| chewing gum: | 1.00000 | 100.00000 | |
| condiments / relishes: | 10.00000 | 50.00000 | |
| confectionery froastings: | 1.00000 | 50.00000 | |
| egg products: | 1.00000 | 50.00000 | |
| fats / oils: | 1.00000 | 100.00000 | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 20.00000 | |
| fruit ices: | 0.50000 | 20.00000 | |
| gelatins / puddings: | 5.00000 | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 50.00000 | |
| hard candy: | 20.00000 | 100.00000 | |
| imitation dairy: | 1.00000 | 100.00000 | |
| instant coffee / tea: | 2.00000 | 10.00000 | |
| jams / jellies: | 0.10000 | 20.00000 | |
| meat products: | 1.00000 | 100.00000 | |
| milk products: | 5.00000 | 50.00000 | |
| nut products: | 1.00000 | 100.00000 | |
| other grains: | 1.00000 | 50.00000 | |
| poultry: | 1.00000 | 50.00000 | |
| processed fruits: | 0.10000 | 20.00000 | |
| processed vegetables: | 0.10000 | 20.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 100.00000 | |
| snack foods: | 1.00000 | 100.00000 | |
| soft candy: | 10.00000 | 100.00000 | |
| soups: | 1.00000 | 50.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.80000 | 20.00000 | |
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 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf | |
| Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf | |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 18433-93-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 86733 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 3 |
| 4-methyl-2-(2-methylpropyl)-1,3-dioxolane | |
| Chemidplus: | 0018433937 |
References:
| 4-methyl-2-(2-methylpropyl)-1,3-dioxolane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18433-93-7 |
| Pubchem (cid): | 86733 |
| Pubchem (sid): | 135044619 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32203 |
| FooDB: | FDB009184 |
| Export Tariff Code: | 2932.99.7000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| caramel | FL | |
| floral | FR | |
| green | FR |
Occurrence (nature, food, other): note
| wine port wine - up to 2 mg/kg Search Picture |
Synonyms:
| (Z+E)-2-iso | butyl-4-methyl-1,3-dioxolane |
| 2-iso | butyl-4-methyl-1,3-dioxolane |
| cis & trans-2-iso | butyl-4-methyl-1,3-dioxolane |
| cis- and trans-2-iso | butyl-4-methyl-1,3-dioxolane |
| 1,3- | dioxolane, 4-methyl-2-(2-methylpropyl)- |
| 4- | methyl-2-(2-methyl propyl)-1,3-dioxolane |
| 4- | methyl-2-(2-methylpropyl)-1,3-dioxolane |
| iso | valer aldehyde PG acetal |
| iso | valeraldehyde PG acetal |
| iso | valeraldehyde propyleneglycol acetal |
| iso | valeric aldehyde propylene glycol acetal |
| iso | valeric aldehyde propyleneglycol acetal |