acetyl acetone
2,4-pentanedione

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  P0052 Acetylacetone >99.0%(GC)
  SDS

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, Edge 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 sds 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) sds 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 (05.3): - - 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-   Articles:   None found yet. Try the PubMed Search.

Notes: Isol. from ethereal oil of Pinus sylvestris (Scotch pine)