EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

acetyl acetone
2,4-pentanedione

Supplier Sponsors

CAS Number: 123-54-6Picture of molecule3D/inchi
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
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Google Scholar: with word "volatile"Search
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Google Patents:Search
US Patents:Search
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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:
Aceto
Acetyl Acetone
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)
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity: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 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 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
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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-
 
 
Notes:
Isol. from ethereal oil of Pinus sylvestris (Scotch pine)
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