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2,4-hexadienyl acetate
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): 221 2,4-HEXADIENYL ACETATE ≥98.0%, Kosher SDS
The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical 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): 1516-17-2 2,4-HEXADIENYL ACETATE 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): 08-21100 2,4-HEXADIENYL ACETATE
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| CAS Number: | 1516-17-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 216-163-8 | |
| FDA UNII: | 5416SJ1T8T | |
| Nikkaji Web: | J33.460J | |
| MDL: | MFCD00036521 | |
| CoE Number: | 10675 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 140.18204000 | |
| Formula: | C8 H12 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Predominantly E,E | |
Category: flavoring agents and cosmetic 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: | 1780 2,4-hexadienyl acetate |
| DG SANTE Food Flavourings: | 09.573 hexa-2,4-dienyl acetate |
| FEMA Number: | 4132 2,4-hexadienyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1516-17-2 ; 2,4-HEXADIENYL ACETATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90800 to 0.91400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.555 to 7.605 |
| Refractive Index: | 1.47000 to 1.47600 @ 20.00 °C. |
| Boiling Point: | 100.00 °C. @ 20.00 mm Hg |
| Boiling Point: | 192.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.662000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 160.00 °F. TCC ( 71.11 °C. ) |
| logP (o/w): | 2.195 (est) |
| Soluble in: | |
| alcohol | |
| triacetin | |
| water, 747.7 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium |
| Substantivity: | 2 hour(s) at 100.00 % |
| fresh green oily herbal pumpkin fresh parsley | |
| Odor Description: at 100.00 %. | fresh green oily herbal pumpkin fresh parsley Luebke, William tgsc, (2006) |
| Flavor Type: green | |
| fresh green herbal soapy metallic | |
| Taste Description: at 25.00 ppm in water. | fresh green herbal soapy metallic Luebke, William tgsc, (2006) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| 2,4-HEXADIENYL ACETATE ≥98.0%, Kosher | |
| Odor Description: | powerful, sweet, pineapple |
| Taste Description: | green The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| 2,4-HEXADIENYL ACETATE
≥98.0%, Kosher Odor: powerful, sweet, pineapple Flavor: green The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors. |
| BOC Sciences |
| For experimental / research use only. |
| 2,4-HEXADIENYL ACETATE 98.0% |
| Parchem |
| sorbyl acetate |
| Penta International |
| 2,4-HEXADIENYL ACETATE |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36 - Irritating to eyes. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| 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 4360 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 2520 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents and cosmetic fragrance agents | ||
| Recommendation for sorbyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | .0012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: | 5.00000 | 25.00000 | |
| 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 | 10.00000 | |
| snack foods: | 5.00000 | 25.00000 | |
| soft candy: | 1.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 5.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 5.00000 | 25.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 4.00000 | 20.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 5.00000 | 25.00000 | |
| Confectionery (05.0): | 5.00000 | 25.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 20.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 3.00000 | 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 | |
| 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 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,ß-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1516-17-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 15196 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 1 |
| hexa-2,4-dienyl acetate | |
| Chemidplus: | 0001516172 |
| RTECS: | AI0350000 for cas# 1516-17-2 |
References:
| hexa-2,4-dienyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1516-17-2 |
| Pubchem (cid): | 15196 |
| Pubchem (sid): | 29283168 |
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): | HMDB32311 |
| FooDB: | FDB009559 |
| Export Tariff Code: | 2915.39.9500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR | |
| green | FL | |
| herbal | FL | |
| mango | FL | |
| parsley leaf | FL/FR | |
| passion fruit | FR | |
| pineapple | FL | |
| pumpkin | FL | |
| tropical | FL | |
| vegetable | FL | |
| watercress nasturtium | ||
| wine | FL |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| acetic acid 2,4-hexadien-1-ol ester | |
| acetic acid 2,4-hexadien-1-yl ester | |
| hexa-2,4-dien-1-yl acetate | |
| hexa-2,4-dienyl acetate | |
| 2,4- | hexadien-1-ol, acetate |
| 2,4- | hexadien-1-yl acetate |
| 2,4- | hexadienyl acetate |
| sorbyl acetate |