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2,4-hexadienyl isobutyrate
Notes:
Used as a food additive [EAFUS]
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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): 223 2,4-HEXADIENYL ISOBUTYRATE ≥98.0%, Kosher SDS For sweet pineapple, nutty, spicy notes.
A spicy, cinnamon note for overripe pear, apple, apple pie, pineapple, mango, and guava 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): 16491-24-0 Propanoic acid 2-methyl-2,4-hexadienyl ester 98.0%
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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): 08-21200 2,4-HEXADIENYL ISOBUTYRATE
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| CAS Number: | 16491-24-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 240-551-6 | |
| Nikkaji Web: | J318.214B | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 168.23592000 | |
| Formula: | C10 H16 O2 | |
| 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: | 1782 2,4-hexadienyl isobutyrate |
| FEMA Number: | 4134 2,4-hexadienyl isobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 16491-24-0 ; 2,4-HEXADIENYL ISOBUTYRATE |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 80.00 °C. @ 15.00 mm Hg |
| Vapor Pressure: | 0.104000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w): | 3.058 (est) |
| Soluble in: | |
| alcohol | |
| water, 93.91 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium |
| Substantivity: | > 1 hour(s) at 100.00 % |
| green fruity galbanum apple pear pineapple | |
| Odor Description: at 100.00 %. | green fruity galbanum apple pear pineapple |
| Taste Description: | cinnamon |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| 2,4-HEXADIENYL ISOBUTYRATE ≥98.0%, Kosher | |
| Odor Description: | A sweet pineapple odor with cinnamon undertones For sweet pineapple, nutty, spicy notes. |
| Taste Description: | green A spicy, cinnamon note for overripe pear, apple, apple pie, pineapple, mango, and guava flavors. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Propanoic acid,2-methyl-, 2,4-hexadien-1-yl ester |
| Bedoukian Research |
| 2,4-HEXADIENYL ISOBUTYRATE
≥98.0%, Kosher Odor: A sweet pineapple odor with cinnamon undertones Use: For sweet pineapple, nutty, spicy notes. Flavor: green A spicy, cinnamon note for overripe pear, apple, apple pie, pineapple, mango, and guava flavors. |
| BOC Sciences |
| For experimental / research use only. |
| Propanoic acid 2-methyl-2,4-hexadienyl ester 98.0% |
| Parchem |
| sorbyl isobutyrate |
| Penta International |
| 2,4-HEXADIENYL ISOBUTYRATE |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,4-hexadienyl isobutyrate |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 339, 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 sorbyl isobutyrate usage levels up to: | |||
| 5.0000 % 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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.50000 | 10.00000 | |
| beverages(nonalcoholic): | 2.00000 | 20.00000 | |
| beverages(alcoholic): | 2.00000 | 20.00000 | |
| breakfast cereal: | 0.50000 | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 25.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 20.00000 | |
| fruit ices: | 1.00000 | 20.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | - | - | |
| milk products: | 5.00000 | 25.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 5.00000 | 25.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 20.00000 | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 25.00000 | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 16491-24-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 86015 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| hexa-2,4-dienyl 2-methylpropanoate | |
| Chemidplus: | 0016491240 |
References:
| hexa-2,4-dienyl 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 16491-24-0 |
| Pubchem (cid): | 86015 |
| Pubchem (sid): | 135043414 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32313 |
| FooDB: | FDB009561 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| fruit tropical fruit | FL | |
| galbanum | FR | |
| green | FR | |
| herbal | FR | |
| pear | FR | |
| pineapple | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| iso | butyric acid 2,4-hexadien-1-yl ester |
| iso | butyric acid, 2,4-hexadienyl ester |
| hexa-2,4-dien-1-yl 2-methylpropanoate | |
| hexa-2,4-dienyl 2-methyl propanoate | |
| hexa-2,4-dienyl 2-methylpropanoate | |
| hexa-2,4-dienyl isobutyrate | |
| hexadien-1-yl isobutyrate | |
| 2,4- | hexadien-1-yl isobutyrate |
| 2,4- | hexadienyl 2-methyl propanoate |
| 2,4- | hexadienyl 2-methylpropanoate |
| 2,4- | hexadienyl isobutyrate |
| 2- | methyl propanoic acid 2,4-hexadienyl ester |
| 2- | methylpropanoic acid 2,4-hexadienyl ester |
| propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester | |
| sorbyl isobutyrate |