2-methyl-3-butanone
propionaldehyde, 1,2-dimethyl-
Identification
| Name | 2-methyl-3-butanone |
| CAS Number | 563-80-4 |
| EINECS | 209-264-3 |
| FDA UNII | V8DP6THY5O |
| Molecular Formula | C5 H10 O |
| Molecular Weight | 86.13390000 |
| MDL Number | MFCD00008919 |
| Nikkaji Number | J43.513I |
| Beilstein | 1071238 |
| CoE Number | 11131 |
| XlogP3 | 0.80 (est) |
Regulatory
| DG SANTE Food Flavourings | 07.178 3-methylbutan-2-one |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.80100 to 0.80700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.665 to 6.715 |
| Refractive Index | 1.38700 to 1.39300 @ 20.00 °C. |
| Melting Point | -92.00 °C. @ 760.00 mm Hg |
| Boiling Point | 94.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 93.251999 mmHg @ 25.00 °C. (est) |
| Flash Point | 33.00 °F. TCC ( 0.50 °C. ) |
| logP (o/w) | 0.840 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 [sex: M] 2572 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 6350 mg/kg |
| Inhalation Toxicity | inhalation-rat LCLo 5700 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.073 (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 |
Penta International Corporation
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Synerzine, Inc.
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Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
2-
acetyl propane
2-
acetylpropane
2-
butanone, 3-methyl-
iso
butanone, methyl-
ketone, isopropyl methyl
3-
methyl butan-2-one
3-
methyl butanone
methyl isopropyl ketone
2-
methyl-3-butanone
3-
methylbutan-2-one
3-
methylbutanone
MIPK
propionaldehyde, 1,2-dimethyl-
iso
propyl methyl ketone
Info:
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)