3-heptyl acetate
(+/-)heptan-3-yl acetate
Identification
| Name | 3-heptyl acetate |
| IUPAC | heptan-3-yl acetate |
| CAS Number | 5921-83-5 |
| FDA UNII | 79AS95G5J0 |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
| MDL Number | MFCD28404775 |
| Nikkaji Number | J261.061B |
Regulatory
| JECFA Food Flavoring | 1143 (+/-)heptan-3-yl acetate |
| DG SANTE Food Flavourings | 09.924 3-heptyl acetate |
| FEMA Number | 3980 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5921-83-5 ; 3-HEPTYL ACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85800 to 0.86700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.139 to 7.214 |
| Refractive Index | 1.40600 to 1.41400 @ 20.00 °C. |
| Boiling Point | 185.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 1.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 138.00 °F. TCC ( 58.89 °C. ) |
| logP (o/w) | 3.181 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| 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 3-heptyl acetate 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 | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 8.00000 |
| beverages(nonalcoholic) | 5.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 25.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 6.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 7.00000 |
| 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 | 3.00000 |
| soft candy | 7.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Alfrebro LLC/ Archer Daniels Midland Company
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Potential Uses
Natural Occurrence
Synonyms
acetic acid 3-heptanyl ester
acetic acid, 3-heptanyl ester
1-
ethyl pentyl acetate
1-
ethylpentyl acetate
heptan-3-yl acetate
(+/-)
heptan-3-yl acetate
(±)-
heptan-3-yl acetate
3-
heptanol acetate
3-
heptanol, acetate
(±)-3-
heptanyl acetate
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