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alpha-pentylcinnamyl isovalerate
Notes:
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): 7493-80-3 alpha-Amyl Cinnamyl Isovalerate
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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): 01-31000 ALPHA-AMYLCINNAMYL ISOVALERATE
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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): W0110 alpha-Amylcinnamyl Isovalerate
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| CAS Number: | 7493-80-3 |  3D/inchi
|
| FDA UNII: | ZR2O0NCP37 | |
| CoE Number: | 463 | |
| XlogP: | 5.90 (est) | |
| Molecular Weight: | 288.43056000 | |
| Formula: | C19 H28 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 7493-80-3 (E) |  3D/inchi
|
| XlogP: | 5.90 (est) | |
| Molecular Weight: | 288.43056000 | |
| Formula: | C19 H28 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 7493-80-3 (Z) |  3D/inchi
|
| FDA UNII: | ZR2O0NCP37 | |
| XlogP3-AA: | 6.20 (est) | |
| Molecular Weight: | 288.43056000 | |
| Formula: | C19 H28 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 678 alpha-amylcinnamyl isovalerate |
| DG SANTE Food Flavourings: | 09.468 alpha-pentylcinnamyl isovalerate |
| FEMA Number: | 2067 alpha-amylcinnamyl isovalerate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7493-80-3 ; ALPHA-AMYLCINNAMYL ISOVALERATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93900 to 0.95900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.813 to 7.980 |
| Refractive Index: | 1.49800 to 1.50800 @ 20.00 °C. |
| Boiling Point: | 392.00 to 393.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 171.00 °C. @ 4.00 mm Hg |
| Flash Point: | 253.00 °F. TCC ( 122.78 °C. ) |
| logP (o/w): | 6.470 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.02419 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| alpha-amyl cinnamyl acetate | |
| alpha-amyl cinnamyl alcohol | |
| alpha-amyl cinnamyl formate | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity tobacco oily hay | |
| Odor Description: at 100.00 %. | fruity tobacco oily hay |
| Flavor Type: fruity | |
| oily fruity hay spicy | |
| Taste Description: | oily fruity hay spicy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| alpha-Amyl Cinnamyl Isovalerate |
| Parchem |
| alpha-Amyl Cinnamyl Isovalerate |
| Penta International |
| ALPHA-AMYLCINNAMYL ISOVALERATE |
| Synerzine |
| alpha-Amylcinnamyl Isovalerate |
Safety Information:
| 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 | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for alpha-amyl cinnamyl isovalerate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.70000 | |
| beverages(nonalcoholic): | - | 0.36000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.20000 | |
| fruit ices: | - | 1.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.30000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of cinnamyl derivatives 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 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1] View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-(phenylmethylidene)heptyl 3-methylbutanoate | |
| Chemidplus: | 0007493803 |
| [(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate | |
| [(2Z)-2-(phenylmethylidene)heptyl] 3-methylbutanoate | |
References:
| 2-(phenylmethylidene)heptyl 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7493-80-3 |
| Pubchem (sid): | 135019027 |
| [(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7493-80-3 |
| [(2Z)-2-(phenylmethylidene)heptyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7493-80-3 |
| Pubchem (cid): | 6435835 |
| Pubchem (sid): | 135019027 |
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): | HMDB36205 |
| FooDB: | FDB015063 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| chocolate | FR | |
| fruit tropical fruit | FL | |
| hay new mown hay | FR | |
| jasmin | FR | |
| moss | FR | |
| musk | FR | |
| nut | FL | |
| tobacco | FR | |
| tonka bean | FR | |
| tropical | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| alpha- | amyl cinnamyl isovalerianate |
| alpha-N- | amyl-beta-phenyl acryl 3-methyl butanoate |
| alpha-N- | amyl-beta-phenyl acryl isovalerate |
| alpha- | amylcinnamyl isovalerate |
| alpha- | amylcinnamyl isovalerianate |
| floxin isovalerate | |
| alpha- | pentyl cinnamyl isovalerate |
| alpha- | pentyl cinnamyl isovalerianate |
| a- | pentylcinnamyl isovalerate |
| alpha- | pentylcinnamyl isovalerate |
| alpha- | pentylcinnamyl isovalerianate |
| 2-( | phenylmethylene)heptyl 3-methylbutanoate |
| 2-( | phenylmethylidene)heptyl 3-methylbutanoate |