4-(para-tolyl)-2-butanone
4-(p-tolyl)-2-butanone
Identification
| Name | 4-(para-tolyl)-2-butanone |
| IUPAC | 4-(4-methylphenyl)butan-2-one |
| CAS Number | 7774-79-0 |
| FDA UNII | B98IK70Y98 |
| Molecular Formula | C11 H14 O |
| Molecular Weight | 162.23178000 |
| Nikkaji Number | J1.536.526I |
| CoE Number | 160 |
Regulatory
| JECFA Food Flavoring | 817 4-(p-tolyl)-2-butanone |
| DG SANTE Food Flavourings | 07.026 4-(p-tolyl)butan-2-one |
| FEMA Number | 3074 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7774-79-0 ; 4-(P-TOLYL)-2-BUTANONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Equivalence Factor for Assay | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98100 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.163 to 8.221 |
| Refractive Index | 1.50300 to 1.50800 @ 20.00 °C. |
| Boiling Point | 243.00 to 244.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.029000 mmHg @ 25.00 °C. (est) |
| Flash Point | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w) | 2.491 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
| Taste Description | intense sweet deep fruit |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 4-(para-tolyl)-2-butanone usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.40 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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
2-
butanone, 4-(4-methylphenyl)-
2-
butanone, 4-p-tolyl-
p-
methyl benzyl acetone
para-
methyl benzyl acetone
4-(4-
methyl phenyl)-2-butanone
p-
methylbenzyl acetone
para-
methylbenzyl acetone
p-
methylbenzylacetone
methylbenzylacetone, p-
4-(4-
methylphenyl)-2-butanone
4-(4-
methylphenyl)butan-2-one
4-(p-
tolyl) butan-2-one
4-(para-
tolyl) butan-2-one
4-(4-
tolyl)-2-butanone
4-(p-
tolyl)-2-butanone
4-(p-
tolyl)butan-2-one
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