acetyl acetone
2,4-pentanedione
Identification
| Name | acetyl acetone |
| CAS Number | 123-54-6 |
| EINECS | 204-634-0 |
| FDA UNII | 46R950BP4J |
| Molecular Formula | C5 H8 O2 |
| Molecular Weight | 100.11716000 |
| MDL Number | MFCD00008787 |
| Nikkaji Number | J2.499F |
| Beilstein | 0741937 |
| CoE Number | 11036 |
| XlogP3 | 0.40 (est) |
Regulatory
| 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 |
| Similar Items | note |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M] 1000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 810 mg/kg |
| Inhalation Toxicity | inhalation-rat LCLo 1000 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
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-
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