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3-heptanone, 5-methyl-
Notes:
None found
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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): 541-85-5 5-METHYL-3-HEPTANONE 95%
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): 5-METHYL 3-HEPTANONE
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Moellhausen S.P.A. THE CHEMISTRY OF EMOTIONS Innovation and commitment in the name of excellence. After 50 years in business, Moellhausen stands out as one of the world’s leading family-run companies in the industry of flavors and fragrances, raw materials, and specialties. Voice: +39 039.685.6262 Fax: +39 039.685.6263 Facebook Twitter Linkedin Youtube A network of knowledge to grow together Sustainability is at the foundation of a Pervasive technology and total control Product(s): 100819 5-METHYL HEPTAN-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): 13-49150 5-METHYL-3-HEPTANONE
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Twitter Linkedin News Product(s): METHYL HEPTANONE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W1425 5-Methyl-3-heptanone
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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): M0335 5-Methyl-3-heptanone >95.0%(GC)
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| CAS Number: | 541-85-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-793-7 | |
| FDA UNII: | 9RQ13D247K | |
| Nikkaji Web: | J2.642E | |
| Beilstein Number: | 0506345 | |
| MDL: | MFCD00009340 | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 128.21472000 | |
| Formula: | C8 H16 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| CAS Number: | 541-85-5 (R) |  3D/inchi
|
| FDA UNII: | R1B57M585J | |
| Nikkaji Web: | J56.325K | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 128.21472000 | |
| Formula: | C8 H16 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| CAS Number: | 541-85-5 (S) |  3D/inchi
|
| FDA UNII: | Q4YD7AE57C | |
| Nikkaji Web: | J56.324B | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 128.21472000 | |
| Formula: | C8 H16 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Racemate. | |
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 |
| DG SANTE Food Flavourings: | 07.182 5-methylheptan-3-one |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.81600 to 0.82400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.790 to 6.857 |
| Refractive Index: | 1.41800 to 1.42400 @ 20.00 °C. |
| Boiling Point: | 158.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 2.444000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 111.00 °F. TCC ( 43.89 °C. ) |
| logP (o/w): | 2.350 (est) |
| Soluble in: | |
| alcohol | |
| water, 1371 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| herbal sweet oily | |
| Odor Description: at 100.00 %. | herbal sweet oily |
| Flavor Type: fruity | |
| fruity citrus | |
| Taste Description: | fruity citrus |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 5-METHYL-3-HEPTANONE 95% |
| EMD Millipore |
| For experimental / research use only. |
| 5-Methyl-3-heptanone |
| ExtraSynthese |
| For experimental / research use only. |
| 5-Methyl-3-heptanone (GC) ≥98% |
| Lluch Essence |
| 5-METHYL 3-HEPTANONE |
| Moellhausen |
| 5-METHYL HEPTAN-3-ONE
Odor: fresh, fruity, somewhat burnt Flavor: fresh, somewhat fruity and citrusy |
| Penta International |
| 5-METHYL-3-HEPTANONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 5-Methyl-3-heptanone |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 5-Methyl-3-heptanone ≥94% (GC) |
| SRS Aromatics |
| METHYL HEPTANONE |
| Synerzine |
| 5-Methyl-3-heptanone |
| TCI AMERICA |
| For experimental / research use only. |
| 5-Methyl-3-heptanone >95.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/37 - Irritating to eyes and respiratory system. 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 37/39 - Wear suitable 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-rat LD50 3500 mg/kg (Kennedy & Graepel, 1991) oral-mouse LD50 3800 mg/kg (Kennedy & Graepel, 1991) oral-guinea pig LD50 2500 mg/kg (Kennedy & Graepel, 1991) oral-guinea pig LD50 2500 mg/kg Biochemical Pharmacology. Vol. 16, Pg. 631, 1967. oral-mouse LD50 3800 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. oral-rat LD50 3500 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 16000 mg/kg Shell Chemical Company. Vol. MSDS skin-rabbit LD50 > 16000 mg/kg Shell Chemical Company. Vol. MSDS | |
| Inhalation Toxicity: | |
|
inhalation-mouse LCLo 3484 ppm/4H Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. inhalation-rat LCLo 3484 ppm/8H Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. | |
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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.32 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1600 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| 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): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| 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): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| 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): | 2.00000 | 10.00000 | |
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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) 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.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| NIOSH Pocket Guide: | search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 541-85-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7822 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2271 |
| WGK Germany: | 1 |
| 5-methylheptan-3-one | |
| Chemidplus: | 0000541855 |
| RTECS: | 541-85-5 |
| (5R)-5-methylheptan-3-one | |
| (5S)-5-methylheptan-3-one | |
References:
| 5-methylheptan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 541-85-5 |
| Pubchem (cid): | 7822 |
| Pubchem (sid): | 134976138 |
| (5R)-5-methylheptan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 541-85-5 |
| Pubchem (cid): | 6566014 |
| Pubchem (sid): | 43216244 |
| (5S)-5-methylheptan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 541-85-5 |
| Pubchem (cid): | 1715061 |
| Pubchem (sid): | 40891518 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB006154 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| cardamom fruit Search Trop Picture | |
| cardamom seed Search Trop Picture | |
| lavandin oil grosso @ 0.14% Data GC Search Trop Picture | |
| lemon leaf oil Search Trop Picture | |
| lemongrass oil - 14,300 mg/kg Search Trop Picture | |
| papaya fruit - 0.02 mg/kg Search Trop Picture | |
| pennyroyal oil @ 0.50% Data GC Search Trop Picture | |
| peppermint leaf Search Trop Picture | |
| peppermint oil Search Trop Picture | |
| petitgrain lemon oil Search Trop Picture | |
| tomato Search Trop Picture |
Synonyms:
| sec- | amyl ethyl ketone |
| ethyl 2-methyl butyl ketone | |
| ethyl 2-methylbutyl ketone | |
| ethyl sec-amyl ketone | |
| ethyl sec-amylketone | |
| 3- | heptanone, 5-methyl- |
| ketone, ethyl 2-methylbutyl | |
| 2- | methyl butyl ethyl ketone |
| 5- | methyl heptan-3-one |
| methyl heptanone | |
| 5- | methyl-3-heptanone |
| 3- | methyl-5-heptanone |
| 5- | methyl-heptan-3-one |
| 2- | methylbutyl ethyl ketone |
| 5- | methylheptan-3-one |
| methylheptanone |