Articles:
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cis-3-hexenyl acetoacetate
Notes:
None found
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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): 84434-20-8 (Z)-hex-3-enyl acetoacetate
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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: | 84434-20-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 282-820-0 | |
| FDA UNII: | 70D608M0TD | |
| Nikkaji Web: | J297.678A | |
| XlogP3: | 1.60 (est) | |
| Molecular Weight: | 184.23512000 | |
| Formula: | C10 H16 O3 | |
| 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: | 1974 cis-3-hexenyl acetoacetate |
| FEMA Number: | 4489 cis-3-hexenyl acetoacetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 84434-20-8 ; CIS-3-HEXENYL ACETOACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 93.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98000 to 0.99000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.164 to 8.247 |
| Refractive Index: | 1.44500 to 1.45500 @ 20.00 °C. |
| Boiling Point: | 254.00 to 255.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.017000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w): | 2.423 (est) |
| Soluble in: | |
| alcohol | |
| water, 2511 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| amyl acetoacetate | |
| isoamyl acetoacetate | |
| para-anisyl acetoacetate | |
| benzyl acetoacetate | |
| bergamot acetoacetate | |
| butyl acetoacetate | |
| isobutyl acetoacetate | |
| cinnamyl acetoacetate | |
| cyclohexyl acetoacetate | |
| dodecyl acetoacetate | |
| ethyl 2-ethyl acetoacetate | |
| ethyl acetoacetate | |
| geranyl acetoacetate | |
| heptyl acetoacetate | |
| hexyl acetoacetate | |
| jasmin acetoacetate | |
| laevo-menthyl acetoacetate | |
| methyl acetoacetate | |
| spicy acetoacetate | |
Organoleptic Properties:
| Odor Type: green | |
| earthy green floral | |
| Odor Description: at 100.00 %. | earthy green floral |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Butanoic acid, 3-oxo-,(3Z)-3-hexenyl ester (9CI) |
| BOC Sciences |
| For experimental / research use only. |
| (Z)-hex-3-enyl acetoacetate |
| Inoue Perfumery |
| CIS-3-HEXENYL ACETOACETATE |
| Parchem |
| (Z)-3-hexen-1-yl acetoacetate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (Z)-3-hexen-1-yl acetoacetate usage levels up to: | |||
| 1.0000 % 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 15.00000 | 160.00000 | |
| beverages(nonalcoholic): | 8.00000 | 80.00000 | |
| beverages(alcoholic): | 5.00000 | 50.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 8.00000 | 80.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 8.00000 | 80.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | 10.00000 | 100.00000 | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 20836219 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(Z)-hex-3-enyl] 3-oxobutanoate | |
| Chemidplus: | 0084434208 |
References:
| [(Z)-hex-3-enyl] 3-oxobutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 84434-20-8 |
| Pubchem (cid): | 20836219 |
| Pubchem (sid): | 135210212 |
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): | Search |
| ChemSpider: | View |
| FAO: | cis-3-Hexenyl acetoacetate |
Potential Blenders and core components note
Potential Uses:
| citrus | FL | |
| earth | FR | |
| floral | FR | |
| fruit | FR | |
| grass | ||
| green | FL | |
| orchid | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| butanoic acid, 3-oxo-, 3-hexenyl ester, (Z)- | |
| butanoic acid, 3-oxo-,(3z)-3-hexenyl ester (9ci) | |
| (3Z)- | hex-3-en-1-yl 3-oxobutanoate |
| (Z)- | hex-3-enyl acetoacetate |
| [(Z)- | hex-3-enyl] 3-oxobutanoate |
| cis-3- | hexenyl acetoacetate |
| hexenyl oxanate |