2-pentyl-1-buten-3-one
3-methylene-2-octanone
Identification
| Name | 2-pentyl-1-buten-3-one |
| IUPAC | 3-methylideneoctan-2-one |
| CAS Number | 63759-55-7 |
| EINECS | 264-448-0 |
| FDA UNII | U0DN158008 |
| Molecular Formula | C9 H16 O |
| Molecular Weight | 140.22572000 |
| Nikkaji Number | J286.550E |
Regulatory
| JECFA Food Flavoring | 1149 2-pentyl-1-buten-3-one |
| FEMA Number | 3725 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 63759-55-7 ; 2-PENTYL-1-BUTEN-3-ONE |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.80800 to 0.81400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.723 to 6.773 |
| Refractive Index | 1.43700 to 1.44200 @ 20.00 °C. |
| Boiling Point | 81.00 °C. @ 31.00 mm Hg, 197.00 to 198.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.361000 mmHg @ 25.00 °C. (est) |
| Flash Point | 160.00 °F. TCC ( 71.11 °C. ) |
| logP (o/w) | 2.599 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| 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-pentyl-1-buten-3-one usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| 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
3-
methylene octan-2-one
3-
methylene-2-octanone
3-
methyleneoctan-2-one
3-
methylidene octan-2-one
3-
methylideneoctan-2-one
2-
octanone, 3-methylene-
2-
pentyl but-1-en-3-one
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