Articles:
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N-butylidene acetone
Notes:
Flavouring ingredient
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Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): Coconut Ketone NATURAL 10% in EtOH (3-HEPTENE-2-ONE)
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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): 1119-44-4 3-HEPTEN-2-ONE 96.0%
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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): 3-HEPTENE-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): 08-11800 3-HEPTEN-2-ONE 08-11815 3-HEPTEN-2-ONE NATURAL 10% IN ETHYL ALCOHOL
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W340000 Coconut ketone solution, 10ÿwt. % in ethanol, natural (US) SDS
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): H0838 3-Hepten-2-one >95.0%(GC)
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| CAS Number: | 1119-44-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-278-8 | |
| Nikkaji Web: | J110.419E | |
| MDL: | MFCD00015564 | |
| CoE Number: | 11094 | |
| XlogP3-AA: | 1.70 (est) | |
| Molecular Weight: | 112.17184000 | |
| Formula: | C7 H12 O | |
| 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: | 1127 3-hepten-2-one |
| DG SANTE Food Flavourings: | 07.105 hept-3-en-2-one |
| FEMA Number: | 3400 3-hepten-2-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1119-44-4 ; 3-HEPTEN-2-ONE |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84100 to 0.84700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.998 to 7.048 |
| Refractive Index: | 1.43900 to 1.44800 @ 20.00 °C. |
| Boiling Point: | 63.00 °C. @ 13.00 mm Hg |
| Boiling Point: | 85.00 °C. @ 66.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 2.703000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w): | 1.670 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 3087 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | high , recommend smelling in a 10.00 % solution or less |
| Substantivity: | > 1 hour(s) at 100.00 % |
| green grassy caraway | |
| Odor Description: at 10.00 % in dipropylene glycol. | green grassy caraway |
| sweet fruity ketonic cheesy green woody | |
| Odor Description: | Sweet, fruity, ketonic, cheesy, with a green woody nuance Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
| Flavor Type: creamy | |
| creamy coconut cheesy | |
| Taste Description: at 10.00 ppm. | Creamy, coconut, cheesy Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| 3-HEPTEN-2-ONE ≥96.0%, Kosher, Special Order | |
| Odor Description: | A powerful, green grassy, caraway note Adds an interesting green note to fruity compositions. |
| Taste Description: | creamy For use in caraway, passion fruit and pineapple flavors. |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| Coconut Ketone NATURAL 10% in EtOH (3-HEPTENE-2-ONE) |
| BOC Sciences |
| For experimental / research use only. |
| 3-HEPTEN-2-ONE 96.0% |
| CJ Latta & Associates |
| 3-HEPTENE-2-ONE |
| Parchem |
| 3-hepten-2-one |
| Penta International |
| 3-HEPTEN-2-ONE NATURAL 10% IN ETHYL ALCOHOL |
| Penta International |
| 3-HEPTEN-2-ONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Hepten-2-one |
| Sigma-Aldrich |
| Coconut ketone solution, 10ÿwt. % in ethanol, natural (US)
Odor: green; grassy |
| Certified Food Grade Products |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Hepten-2-one >95.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing. | |
| 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 3-hepten-2-one usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.16 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 0.70000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| 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 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1119-44-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5364578 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 3 |
| hept-3-en-2-one | |
| Chemidplus: | 0001119444 |
References:
| hept-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1119-44-4 |
| Pubchem (cid): | 5364578 |
| Pubchem (sid): | 134979780 |
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): | HMDB31486 |
| FooDB: | FDB008064 |
| Export Tariff Code: | 2914.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| caraway seed | FL/FR | |
| cheese | FL | |
| coconut | FR | |
| cream | FR | |
| grass | ||
| green | FR | |
| melon | FR | |
| passion fruit | FR | |
| pineapple | FR |
Occurrence (nature, food, other): note
| filbert roasted filbert Search Trop Picture |
Synonyms:
| butylidene acetone | |
| N- | butylidene acetone |
| coconut ketone | |
| coconut ketone 10% in EtOH | |
| coconut ketone solution | |
| hept-3-en-2-one | |
| ketone, methyl pentenyl | |
| methyl pentenyl ketone |