Articles:
5-methyl-3-hexen-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): 5166-53-0 5-Methyl-3-hexen-2-one
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): KT0180 5-Methyl-3-hexen-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): 13-51200 5-METHYL-3-HEXEN-2-ONE
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): KT0180 5-Methyl-3-hexen-2-one
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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): M2366 5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one)
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| CAS Number: | 5166-53-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 225-950-5 | |
| Beilstein Number: | 1720101 | |
| MDL: | MFCD00012166 | |
| CoE Number: | 11149 | |
| XlogP3-AA: | 1.50 (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: | 1132 5-methyl-3-hexen-2-one |
| DG SANTE Food Flavourings: | 07.106 5-methylhex-3-en-2-one |
| FEMA Number: | 3409 5-methyl-3-hexen-2-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5166-53-0 ; 5-METHYL-3-HEXEN-2-ONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83800 to 0.84300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.973 to 7.015 |
| Refractive Index: | 1.43700 to 1.44100 @ 20.00 °C. |
| Boiling Point: | 77.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 3.799000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w): | 1.514 (est) |
| Soluble in: | |
| alcohol | |
| water, 3567 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| sweet berry cheesy | |
| Odor Description: at 100.00 %. | sweet berry cheese |
| Flavor Type: fruity | |
| fruity berry | |
| Taste Description: | fruity berry |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| 5-METHYL-3-HEXEN-2-ONE | |
| Odor Description: | A berry-like odor with a cheese undertone For a berry note in fruity fragrances. |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 5-Methyl-3-hexen-2-one |
| Endeavour Specialty Chemicals |
| 5-Methyl-3-hexen-2-one |
| Speciality Chemical Product Groups |
| Nagar Haveli Perfumes & Aromatics |
| 5-Methyl-3-hexen-2-one
Odor: Sweet berry cheese |
| Penta International |
| 5-METHYL-3-HEXEN-2-ONE |
| Robinson Brothers |
| 5-Methyl-3-hexen-2-one |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 5-Methyl-3-hexen-2-one |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 5-Methyl-3-hexen-2-one technical grade, 75% |
| TCI AMERICA |
| For experimental / research use only. |
| 5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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 1680 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 450 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Inhalation Toxicity: | |
|
inhalation-rat LCLo 500 ppm/4H Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
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 filbert hexenone usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: | - | 4.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 2.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 1.00000 | |
| 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 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013) 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 |
| EPA Substance Registry Services (TSCA): | 5166-53-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 21244 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1992 |
| WGK Germany: | 3 |
| 5-methylhex-3-en-2-one | |
| Chemidplus: | 0005166530 |
| RTECS: | MP8750000 for cas# 5166-53-0 |
References:
| 5-methylhex-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5166-53-0 |
| Pubchem (cid): | 21244 |
| Pubchem (sid): | 134985912 |
| Pherobase: | View |
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): | HMDB31550 |
| FooDB: | FDB008161 |
| Export Tariff Code: | 2909.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| berry | FR | |
| cheese | FL |
Occurrence (nature, food, other): note
| filbert roasted filbert Search Trop Picture |
Synonyms:
| 3- | hexen-2-one, 5-methyl- |
| 5- | methyl hex-3-en-2-one |
| 2-oxo-5- | methyl hex-3-ene |
| 5- | methyl-3-hexen-2-one |
| 5- | methylhex-3-en-2-one |