ethyl (Z)-3-hexenoate
ethyl cis-3-hexenoate
Identification
| Name | ethyl (Z)-3-hexenoate |
| IUPAC | ethyl (Z)-hex-3-enoate |
| CAS Number | 64187-83-3 |
| EINECS | 264-724-0 |
| FDA UNII | R35DY1229O |
| Molecular Formula | C8 H14 O2 |
| Molecular Weight | 142.19798000 |
| Nikkaji Number | J126.494J |
Regulatory
| JECFA Food Flavoring | 1626 ethyl (Z)-3-hexenoate |
| DG SANTE Food Flavourings | 09.939 ethyl (3Z)-hexenoate |
| FEMA Number | 4112 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 64187-83-3 ; ETHYL CIS-3-HEXENOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89300 to 0.90300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.431 to 7.514 |
| Refractive Index | 1.42000 to 1.42900 @ 20.00 °C. |
| Boiling Point | 90.00 °C. @ 50.00 mm Hg, 169.00 to 170.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.553000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w) | 2.590 (est) |
| Shelf Life | 36.00 month(s) or longer if stored properly. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Sharp, pear, green, apple, tropical, good for rind notes, pineapple
|
| Taste Description | green |
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 ethyl (Z)-3-hexenoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 120.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 800 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 5.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | 2.00000 |
| cheese | - |
| chewing gum | 5.00000 |
| condiments / relishes | 2.00000 |
| confectionery froastings | 5.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 5.00000 |
| fruit ices | 5.00000 |
| gelatins / puddings | 5.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 10.00000 |
| imitation dairy | 2.00000 |
| instant coffee / tea | 2.00000 |
| jams / jellies | 5.00000 |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 1.00000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 25.00000 |
| snack foods | - |
| soft candy | 10.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 2.00000 |
| Dairy products, excluding products of category 02.0 (01.0) | 0.02000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.20000 |
| Processed fruit (04.1) | 0.02000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.02000 |
| Confectionery (05.0) | 2.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.40000 |
| Bakery wares (07.0) | 0.20000 |
| Meat and meat products, including poultry and game (08.0) | 0.02000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.02000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.02000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 2.00000 |
| Ready-to-eat savouries (15.0) | 0.02000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.02000 |
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Potential Uses
Natural Occurrence
Synonyms
ethyl (3Z)-3-hexenoate
ethyl (3Z)-hex-3-enoate
ethyl (3Z)-hexenoate
ethyl (Z)-hex-3-enoate
ethyl cis-3-hexenoate
ethyl cis-3-hexenoate (natural)
ethyl cis-3-hexenoate natural
cis-
hex-3-enoic acid ethyl ester
3-
hexenoic acid, ethyl ester, (3Z)-
3-
hexenoic acid, ethyl ester, (Z)-
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