ethyl (Z)-4-heptenoate
ethyl cis-4-heptenoate
Identification
| Name | ethyl (Z)-4-heptenoate |
| IUPAC | ethyl (Z)-hept-4-enoate |
| CAS Number | 39924-27-1 |
| EINECS | 254-702-9 |
| FDA UNII | 27Y1FYY1BV |
| Molecular Formula | C9 H16 O2 |
| Molecular Weight | 156.22492000 |
| Nikkaji Number | J2.214.284D |
Regulatory
| JECFA Food Flavoring | 1281 ethyl cis-4-heptenoate |
| DG SANTE Food Flavourings | 09.922 (4Z)-ethylheptenoate |
| FEMA Number | 3975 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 39924-27-1 ; ETHYL 4-HEPTENOATE, CIS- |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88700 to 0.89700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.381 to 7.464 |
| Refractive Index | 1.42800 to 1.43100 @ 20.00 °C. |
| Boiling Point | 52.00 °C. @ 3.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 1.240000 mmHg @ 25.00 °C. (est) |
| Flash Point | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w) | 2.896 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. Pungent green apple or vegetable with sweet or musty tones Pungent, green apple or vegetable with sweet or musty tones
|
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description |
fruity passion fruit green tropical apple mango vegetable Bitter green apple or vegetable
|
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 ethyl (Z)-4-heptenoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 4.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | ND (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 15.00000 |
| beverages(nonalcoholic) | 8.00000 |
| beverages(alcoholic) | 8.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 40.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 10.00000 |
| fruit ices | 8.00000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 12.00000 |
| 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 | 10.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
ethyl (4Z)-hept-4-enoate
ethyl (Z)-hept-4-enoate
ethyl cis-4-heptenoate
(4Z)-
ethylheptenoate
4-
heptenoic acid, ethyl ester, (4Z)-
4-
heptenoic acid, ethyl ester, (Z)-
US Patents:
3,953,377 - Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions