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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 Product(s): 10484 4-Hexen-3-one
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O'Laughlin Industries Inc. Manufacturer of Aroma Leading the Flavor and Fragrance Industry since 1980. O'Laughlin was established in 1980 by its owner and chief executive Michael O'Laughlin, when he moved to Beijing, China and established a small office. Since then it has grown to be a world class producer of chemicals, with significant production facilities in China, and distribution and sales in all major world markets. Email: Sales US Email: Joe Schreiber Voice: (852) 2527-1031 Fax: (852) 2529-0231 US Voice: (973) 376-4600 US Fax: (973) 376-4630 Product(s): 4-HEXEN-3-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): 08-26700 4-HEXENE-3-ONE, Kosher 08-26705 4-HEXEN-3-ONE NATURAL IN ETOH, Kosher
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SAFC 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 Product(s): W335207 4-Hexene-3-one ≥92% MSDS
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Treatt PLC Full Range of Naturals World-leading, independent ingredients supplier to the flavour and fragrance industries. We are proud of our heritage in trading essential oils. Our founder Richard Court Treatt's charismatic and personable approach still embodies the spirit of Treatt today. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Product(s): 4-Hexen-3-one NI, Kosher
Probably used in savoury and spice flavours in trace amounts. Normal use levels in finished consumer product: 0.01-1 ppm. Council of Europe limits: Foods (1 ppm); Beverages (1 ppm).
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| hex-4-en-3-one (Click)
IUPAC Name: hex-4-en-3-one
Std.InChI: InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3
InChI: InChI=1/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3
Std.InChIKey: FEWIGMWODIRUJM-UHFFFAOYSA-N
InChIKey: FEWIGMWODIRUJM-UHFFFAOYAH
SMILES: CCC(=O)C=CC
| |
| CAS Number: | 2497-21-4 |
| ECHA EC Number: | 219-681-2 |
| MDL: | MFCD00010631 |
| FEMA Number: | 3352 |
| CoE Number: | 718 |
| XlogP3-AA: | 1.20 (est) |
| Molecular Weight: | 98.14490000 |
| Formula: | C6 H10 O |
| NMR Predictor: | Predict |
| Also(can) Contains: | (E)-4-hexen-3-one |
| (Z)-4-hexen-3-one | |
| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1125 4-hexen-3-one |
| Flavis Number: | 07.048 (Old) |
| EU SANCO Food Flavourings: | 07.048 4-hexen-3-one |
| FEMA Number: | 3352 4-hexen-3-one |
| FDA Mainterm: | 4-HEXENE-3-ONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80180 to 0.82180 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.680 to 6.846 |
| Specific Gravity: | 0.85500 to 0.86100 @ 25.00 °C. |
| Pounds per Gallon - est.: | 7.114 to 7.164 |
| Refractive Index: | 1.43500 to 1.44100 @ 20.00 °C. |
| Refractive Index: | 1.43700 to 1.44300 @ 20.00 °C. |
| Boiling Point: | 135.00 to 137.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 76.20 °C. @ 8.50 mm Hg |
| Vapor Pressure: | 6.710000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 94.00 °F. TCC ( 34.44 °C. ) |
| logP (o/w): | 1.160 (est) |
Organoleptic Properties:
| Odor Type: | acidic |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| Odor Description: at 1.00 % in propylene glycol. | pungent ethereal spicy green tropical metallic |
| Odor Description: | Pungent, acrid, metallic and etherial Mosciano, Gerard P&F 18, No. 3, 53, (1993) |
| Taste Description: at 20.00 ppm. | Etherial, whiskey-Iike and metallic, fruity with tropical nuances Mosciano, Gerard P&F 18, No. 3, 53, (1993) |
Cosmetic Information:
| None found |
Suppliers:
| Beijing Lys Chemicals |
| 4-Hexen-3-one |
| CTC Organics |
| 4-hexen-3-one |
| Endeavour Speciality Chemicals |
| 4-Hexen-3-one 98% |
| O'Laughlin Industries |
| 4-HEXEN-3-ONE |
| Penta International |
| 4-HEXEN-3-ONE NATURAL IN ETOH, Kosher |
| Penta International |
| 4-HEXENE-3-ONE, Kosher |
| SAFC Global |
| 4-Hexene-3-one
≥92% Odor: ethereal |
| Treatt |
| 4-Hexen-3-one
NI, Kosher Odor: pungent, ethereal, spicy, green aroma, tropical & metallic Flavor: ethereal Probably used in savoury and spice flavours in trace amounts. Normal use levels in finished consumer product: 0.01-1 ppm. Council of Europe limits: Foods (1 ppm); Beverages (1 ppm). |
Safety Information:
| European information : | |||
| Most important hazard(s): | |||
| Xn - Harmful. | |||
|
R 10 - Flammable. R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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: | |||
|
oral-mouse LD50 780 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |||
| Dermal Toxicity: | |||
| Not determined | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavoring agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 13.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| Recommendation for 4-hexen-3-one usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 4-hexen-3-one flavor usage levels up to: | |||
| 20.0000 ppm in the finished product. | |||
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 page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 2497-21-4 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 3 |
| hex-4-en-3-one | |
| Chemidplus: | 0002497214 |
| RTECS: | MP8659900 for cas# 2497-21-4 |
References:
| hex-4-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2497-21-4 |
| Pubchem (cid): | 17244 |
| Pubchem (sid): | 134983518 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| Export Tariff Code: | 2914.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| 2- | acetyl-2-thiazoline | FL |
| benzyl methyl sulfide | FL | |
| coffee difuran | FL/FR | |
| cyclohexyl carboxylic acid | FL/FR | |
| 6,8- | dimethyl-2-nonanol | FR |
| fish thiol | FL/FR | |
| meaty dithiane | FL/FR | |
| 4- | methyl nonanoic acid | FL/FR |
| S-( | methyl thio) hexanoate | FL |
| 2- | methyl-3-tetrahydrofuran thiol | FL |
| 2,4- | octadien-1-ol | FL |
| iso | propyl mercaptan | FL |
| propyl valerate | FL/FR | |
| pyruvaldehyde | FL |
Potential Uses:
| butterscotch | FL | |
| cognac | FL | |
| horseradish | FL | |
| rum | FL | |
| savory | ||
| savory | FL | |
| spice | FL | |
| tropical | ||
| whiskey | FL |
Natural Occurrence in: note
| chicken cooked chicken GRIN Trop Picture |
Synonyms:
| hex-4-en-3-one | |||
| 2- | hexen-4-one | ||
| 4- | hexene-3-one | ||
| hexene-3-one-4 |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 8974 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |