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2,4-pentanedione
Notes:
Isol. from ethereal oil of Pinus sylvestris (Scotch pine)
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Charkit Chemical Corporation The Specialty Chemical Specialists Explore this website to discover the products and services that Charkit provides for your industry and please contact us directly to find out how we can be of service to you. about: Since 1982, Charkit has been committed to expanding the markets we serve as our roster of products and services continues to grow with us. Our substantial portfolio of personal care ingredients now include a wide array of luxury and exotic components to compliment the key products we have always offered. We have expanded our offerings to the nutraceutical, industrial, and resin markets with a growing roster of versatile and unique ingredients. We continue to lead the way in our traditional markets such as Metal and Water Treatment, Imaging, Flavor & Fragrance, Aroma and Food. Our Pharmaceutical offerings continue to expand, still anchored by the Boronic Derivatives that meet the demands of Suzuki coupling reactions. Please contact us to learn how we can help you reach your goals. Email: Sales Voice: 203-299-3220 Fax: 203-299-1355 Facebook Twitter Linkedin Latest News Events Blog Products List: View Product(s): PENTANEDIONE,2,4-
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OQEMA With a focus on providing the highest level of service OQEMA has established itself at the forefront of the global chemical industry. The guiding principles of OQEMA have always been to establish long term relationships with customers and suppliers alike to build sustainable and profitable business for all parties. Through OQEMA’s business divisions the company tailors products and services to better support and service our customers requirements. This structure also allows the company to focus its marketing campaigns more effectively to certain industries. Over the last decade OQEMA has achieved strong growth as a result of the expansion of our business model. Going forward, the company will be expanding this business model into existing and new strategic territories. Email: Contact Us: US Email: Dean Matienzo Email: Sales US Email: Dean Matienzo - Sales Manager Voice: +44 1993 843081 Fax: +44 1993 841261 US Voice: +1 973 886 3778 US Fax: +1 973 346 1106 Linkedin Website Global Distribution Product(s): Acetylacetone
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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): 16-08400 2,4-PENTANEDIONE
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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): P0052 Acetylacetone >99.0%(GC)
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| CAS Number: | 123-54-6 |  3D/inchi
|
| Other(deleted CASRN): | 81235-32-7 | |
| ECHA EINECS - REACH Pre-Reg: | 204-634-0 | |
| FDA UNII: | 46R950BP4J | |
| Nikkaji Web: | J2.499F | |
| Beilstein Number: | 0741937 | |
| MDL: | MFCD00008787 | |
| CoE Number: | 11036 | |
| XlogP3: | 0.40 (est) | |
| Molecular Weight: | 100.11716000 | |
| Formula: | C5 H8 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (IAUFC): | 123-54-6 ; 2,4-PENTANEDIONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98200 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.171 to 8.221 |
| Refractive Index: | 1.44900 to 1.45500 @ 20.00 °C. |
| Melting Point: | -23.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 136.00 to 138.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 2.960000 mmHg @ 20.00 °C. |
| Vapor Density: | 3.5 ( Air = 1 ) |
| Flash Point: | 100.00 °F. TCC ( 37.78 °C. ) |
| logP (o/w): | 0.340 |
| Soluble in: | |
| alcohol | |
| water, 166000 mg/L @ 20 °C (exp) | |
| Similar Items: note | |
| pentane-2,3-dione | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Charkit Chemical |
| PENTANEDIONE,2,4- |
| Connect Chemicals |
| Acetylacetone
Odor: characteristic Use: Acetyl Acetone is a clear, colorless to light yellow liquid ketone with a pleasant odor. Other common names of Acetyl Acetone include 2,4-Pentanedione, Pentan-2,4-dione, Diacetylmethane, and Acetyl 2-propanone. For short, Acetyl Acetone is often referred to as AcAc.
Acetyl Acetone is one of the simplest liquid beta-diketones with the empirical formula of C5H8O.
Production of Acetyl Acetone is most often accomplished by the rearrangement of Isopropenyl Acetate, however other ways exist such as the addition and decarboxylation of Ethyl Acetoacetate and Ketene. |
| EMD Millipore |
| For experimental / research use only. |
| Acetylacetone |
| OQEMA |
| Acetylacetone |
| Penta International |
| 2,4-PENTANEDIONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Acetylacetone |
| Sigma-Aldrich |
| For experimental / research use only. |
| Acetylacetone ReagentPlus®, ≥99% |
| Silver Fern Chemical |
| 2,4 Pentanedione (Acetyl Acetone)
Odor: characteristic Use: 2, 4 Pentanedione (Acetyl Acetone) is commonly used as an anti-corrosion agent, and is mainly used in paints. |
| TCI AMERICA |
| For experimental / research use only. |
| Acetylacetone >99.0%(GC) |
| Vistachem |
| Acetylacetone |
| Zhong Ya Chemical |
| Acetyl Acetone |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 22 - Harmful 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 24/25 - Avoid contact with skin and eyes. 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-rat LD50 [sex: M] 1000 mg/kg (Smyth, 1941) gavage-rat LD50 [sex: M,F] M:780 F:590 mg/kg [REF:2672][REF:2702] oral-rat LD50 [sex: M] 800 mg/kg (Eastman Kodak Co., 1992a) oral-mouse LD50 [sex: M] 951 mg/kg (Eastman Kodak Co., 1992a) intraperitoneal-mouse LD50 750 mg/kg National Technical Information Service. Vol. AD691-490 oral-mouse LD50 951 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4773, 1982. oral-rat LD50 55 mg/kg BEHAVIORAL: REGIDITY BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(10), Pg. 88, 1987. intraperitoneal-rat LDLo 400 mg/kg Biochemical Pharmacology. Vol. 13, Pg. 285, 1964. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 810 mg/kg Drug and Chemical Toxicology. Vol. 9, Pg. 133, 1986. skin-guinea pig LDLo 20 mL/kg National Technical Information Service. Vol. OTS0533573 | |
| Inhalation Toxicity: | |
|
inhalation-rat LCLo 1000 ppm/4H Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for acetyl acetone usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.45 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1543 (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): | - | - | |
| 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 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 123-54-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 31261 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2310 |
| WGK Germany: | 1 |
| pentane-2,4-dione | |
| Chemidplus: | 0000123546 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 123-54-6 |
References:
| pentane-2,4-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-54-6 |
| Pubchem (cid): | 31261 |
| Pubchem (sid): | 134974568 |
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 Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C15499 |
| HMDB (The Human Metabolome Database): | HMDB31648 |
| FooDB: | FDB008303 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| chicken roasted chicken - up to 0.07 mg/kg Search PMC Picture | |
| lavender oil spike spain @ 0.009% Data GC Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| passion fruit juice - less than 0.01 mg/kg Search Trop Picture |
Synonyms:
| acetoacetone | |
| acetone, acetyl- | |
| acetyl 2-propanone | |
| acetylacetone | |
| actylacetone | |
| diacetyl methane | |
| diacetylmethane | |
| 2,4- | dioxopentane |
| 2,4- | pentadione |
| 2,4- | pentandione |
| 2,4- | pentane dione |
| pentane-2,4-dione | |
| 2,4- | pentanedione |
| 2- | propanone, acetyl- |