heptyl butyrate
butanoic acid, heptyl ester
Identification
| Name | heptyl butyrate |
| IUPAC | heptyl butanoate |
| CAS Number | 5870-93-9 |
| EINECS | 227-526-5 |
| FDA UNII | 6YF38H29F1 |
| Molecular Formula | C11 H22 O2 |
| Molecular Weight | 186.29474000 |
| MDL Number | MFCD00048908 |
| Nikkaji Number | J115.074J |
| Beilstein | 1760253 |
| CoE Number | 504 |
| XlogP3 | 3.80 (est) |
Regulatory
| JECFA Food Flavoring | 154 heptyl butyrate |
| DG SANTE Food Flavourings | 09.166 heptyl butyrate |
| FEMA Number | 2549 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5870-93-9 ; HEPTYL BUTYRATE |
| 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 | 0.86000 to 0.86400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.156 to 7.189 |
| Refractive Index | 1.41900 to 1.42300 @ 20.00 °C. |
| Melting Point | -58.00 to -57.00 °C. @ 760.00 mm Hg |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w) | 4.352 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 6 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description | green fruity pear kiwi tropical banana peel |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 heptyl butyrate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.00 (μg/capita/day) |
| 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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