Articles:
| US Patents: | 3,937,228 - Aromatic compositions |
trans,trans-3,5-octadien-2-one
Notes:
Used as a food additive [EAFUS]
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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): 30086-02-3 3,5-OCTADIEN-2-ONE 95%
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CJ Latta & Associates, LLC Extensive Line Aromatic Chemicals and Organic Acids. CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients. Email: Info US Email: Chip Latta Email: Sales US Email: Chip Latta Voice: (630) 240-8079 Product(s): 5-METHYL 3,5-OCTADION-2-ONE
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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): 15-02700 TRANS,TRANS-3,5-OCTADIEN-2-ONE
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Soda Aromatic Co., Ltd. Depth of Experience We guarantees product safety and quality. Our international sales department is happy to design the most suitable flavor & fragrance for specific uses of processed food, cosmetics, and fragrance manufactures all over the world, specializing in Asia.Let us help you with your flavor & fragrance needs. Email: Info Email: Sales Voice: +81-3-5645-7347 Fax: +81-3-3664-5204 Product(s): 110276056 T.T-3,5-Octadien-2-one
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): 3,5-Octadien-2-one
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| CAS Number: | 30086-02-3 |  3D/inchi
|
| FDA UNII: | TD4E94AD7V | |
| Nikkaji Web: | J126.520B | |
| CoE Number: | 2148 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 124.18284000 | |
| Formula: | C8 H12 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated (E,E)-3,5-Octadien-2-one (CASrn as in Register). CASrn in Register to be verified. | |
Category: flavoring 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: | 1139 (E,E)-3,5-octadien-2-one |
| DG SANTE Food Flavourings: | 07.247 (E,E)-3,5-octadien-2-one |
| FEMA Number: | 4008 (E,E)-3,5-octadien-2-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 30086-02-3 ; 3,5-OCTADIEN-2-ONE, TRANS, TRANS- |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88000 to 0.89000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.331 to 7.414 |
| Specific Gravity: | 0.88000 to 0.89000 @ 25.00 °C. |
| Pounds per Gallon - est.: | 7.322 to 7.406 |
| Refractive Index: | 1.50800 to 1.51600 @ 20.00 °C. |
| Refractive Index: | 1.50800 to 1.51600 @ 20.00 °C. |
| Boiling Point: | 185.00 to 186.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.437000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 146.00 °F. TCC ( 63.33 °C. ) |
| logP (o/w): | 1.770 (est) |
| Soluble in: | |
| alcohol | |
| water, 1624 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity green grassy | |
| Odor Description: at 1.00 % in dipropylene glycol. | fruity green grassy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 3,5-Octadien-2-one,(3E,5E)- |
| BOC Sciences |
| For experimental / research use only. |
| 3,5-OCTADIEN-2-ONE 95% |
| CJ Latta & Associates |
| 5-METHYL 3,5-OCTADION-2-ONE |
| Penta International |
| TRANS,TRANS-3,5-OCTADIEN-2-ONE |
| Soda Aromatic |
| T.T-3,5-Octadien-2-one |
| Taytonn ASCC |
| 3,5-Octadien-2-one
Odor: Fruity, Grass, Green |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 36/37/39 - Wear suitable clothing, gloves 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for (E,E)-3,5-octadien-2-one usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 4.00000 | 8.00000 | |
| beverages(nonalcoholic): | 2.00000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 16.00000 | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 4.00000 | 8.00000 | |
| imitation dairy: | 2.00000 | 4.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 2.00000 | 4.00000 | |
| soft candy: | 3.00000 | 6.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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): | |
| Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 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 |
| Laboratory Chemical Safety Summary : | 5352876 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 2 |
| (3E,5E)-octa-3,5-dien-2-one | |
| Chemidplus: | 0030086023 |
References:
| (3E,5E)-octa-3,5-dien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352876 |
| Pubchem (sid): | 135158877 |
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): | HMDB32446 |
| FooDB: | FDB009955 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit tropical fruit | FL | |
| grass | ||
| green | FL | |
| honey | FL |
Occurrence (nature, food, other): note
| brassica oleracea var. acephala Search Trop Picture | |
| oyster Search PMC Picture |
Synonyms:
| (3E,5E)- | octa-3,5-dien-2-one |
| (E,E)- | octa-3,5-dien-2-one |
| (3E,5E)-3,5- | octadien-2-one |
| trans,trans-3,5- | octadien-2-one |
| 3,5- | octadien-2-one, (3E,5E)- |
| 3,5- | octadien-2-one, (E,E)- |