2-methyl-3-heptanone
2-methylheptan-3-one
Identification
| Name | 2-methyl-3-heptanone |
| IUPAC | 2-methylheptan-3-one |
| CAS Number | 13019-20-0 |
| EINECS | 235-877-0 |
| FDA UNII | CH4JHS76WY |
| Molecular Formula | C8 H16 O |
| Molecular Weight | 128.21472000 |
| MDL Number | MFCD00009481 |
| Nikkaji Number | J133.675D |
Regulatory
| JECFA Food Flavoring | 1156 2-methylheptan-3-one |
| DG SANTE Food Flavourings | 07.240 2-methylheptan-3-one |
| FEMA Number | 4000 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13019-20-0 ; 2-METHYL-3-HEPTANONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81100 to 0.82100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.748 to 6.832 |
| Refractive Index | 1.40800 to 1.41300 @ 20.00 °C. |
| Boiling Point | 158.00 to 160.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 2.526000 mmHg @ 25.00 °C. (est) |
| Flash Point | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w) | 2.350 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-methyl-3-heptanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 12.00000 |
| beverages(nonalcoholic) | 7.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 25.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 10.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 12.00000 |
| imitation dairy | 8.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
butyl isopropyl ketone
N-
butyl isopropyl ketone
3-
heptanone, 2-methyl-
ketone, butyl isopropyl
2-
methyl butyl isopropyl ketone
2-
methyl heptan-3-one
2-
methylbutyl isopropyl ketone
2-
methylheptan-3-one
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