butyl heptanoate
butyl heptoate
Identification
| Name | butyl heptanoate |
| IUPAC | butyl heptanoate |
| CAS Number | 5454-28-4 |
| EINECS | 226-707-6 |
| FDA UNII | 0Y61V5656M |
| Molecular Formula | C11 H22 O2 |
| Molecular Weight | 186.29474000 |
| MDL Number | MFCD00048898 |
| Nikkaji Number | J115.080D |
| CoE Number | 363 |
Regulatory
| JECFA Food Flavoring | 169 butyl heptanoate |
| DG SANTE Food Flavourings | 09.091 butyl heptanoate |
| FEMA Number | 2199 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5454-28-4 ; BUTYL HEPTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86300 @ 25.00 °C. |
| Melting Point | -67.50 °C. @ 760.00 mm Hg |
| Boiling Point | 226.20 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.090000 mmHg @ 25.00 °C. |
| Flash Point | 188.00 °F. TCC ( 86.67 °C. ) |
| logP (o/w) | 4.352 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Odor sample from | Sigma-Aldrich |
| Taste Description | fruity green winey pear starfruit tropical papaya licorice |
Safety Information
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for butyl heptanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.00 (μg/capita/day) |
| baked goods | 2.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.00000 |
| fruit ices | 2.00000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 2.00000 |
| 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
butyl heptoate
butyl heptylate
butyl-heptanoate
heptanoic acid butyl ester
heptanoic acid, butyl ester
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