diacetone alcohol
4-hydroxy-4-methylpentan-2-one
Identification
| Name | diacetone alcohol |
| IUPAC | 4-hydroxy-4-methylpentan-2-one |
| CAS Number | 123-42-2 |
| EINECS | 204-626-7 |
| FDA UNII | Q7WP157PTD |
| Molecular Formula | C6 H12 O2 |
| Molecular Weight | 116.16004000 |
| MDL Number | MFCD00004471 |
| Nikkaji Number | J5.540I |
| Beilstein | 1740440 |
Regulatory
| DG SANTE Food Flavourings | 07.165 4-hydroxy-4-methylpentan-2-one |
| FDA Mainterm (IAUFC) | 123-42-2 ; DIACETONE ALCOHOL |
| FDA Regulation | FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92900 to 0.93500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.730 to 7.780 |
| Refractive Index | 1.41800 to 1.42400 @ 20.00 °C. |
| Boiling Point | 164.00 to 166.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.710000 mmHg @ 25.00 °C. |
| Vapor Density | 4.0 ( Air = 1 ) |
| Flash Point | 143.00 °F. TCC ( 61.67 °C. ) |
| logP (o/w) | 0.026 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | fragrance |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M] 4920 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 13500 mg/kg |
| Inhalation Toxicity | inhalation-human TCLo 100 ppm |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | indirect food additives: adhesives and components of coatings |
| Recommendation for diacetone alcohol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.085 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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) | 4.00000 |
| 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 |
ECSA Chemicals
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Potential Uses
Natural Occurrence
Synonyms
acetonyl dimethyl carbinol
acetonyldimethylcarbinol
diketone alcohol
dimethyl acetonyl carbinol
4-
hydroxy-2-keto-4-methylpentane
2-
hydroxy-2-methyl-4-pentanone
3-
hydroxy-3-methyl-2-pentanone
4-
hydroxy-4-methyl pentan-2-one
4-
hydroxy-4-methyl-2-pentanone
4-
hydroxy-4-methyl-pentan-2-one
4-
hydroxy-4-methylpentan-2-one
2-
methyl-2-pentanol-4-one
4-
methyl-4-oxidanyl-pentan-2-one
2-
pentanone, 4-hydroxy-4-methyl-
pyranton A
tyranton
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