(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexenyl (E)-2-hexenoate
Identification
| Name | (Z)-3-hexen-1-yl (E)-2-hexenoate |
| IUPAC | [(Z)-hex-3-enyl] (E)-hex-2-enoate |
| CAS Number | 53398-87-1 |
| FDA UNII | S3878T105H |
| Molecular Formula | C12 H20 O2 |
| Molecular Weight | 196.28980000 |
| Nikkaji Number | J102.181H |
| CoE Number | 9568 |
Regulatory
| JECFA Food Flavoring | 1279 (Z)-3-hexenyl (E)-2-hexenoate |
| DG SANTE Food Flavourings | 09.568 (3Z)-hexenyl (E)-hexenoate |
| FEMA Number | 3928 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 53398-87-1 ; (Z)-3-HEXENYL (E)-2-HEXENOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89700 to 0.90500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.464 to 7.531 |
| Refractive Index | 1.45300 to 1.46100 @ 20.00 °C. |
| Boiling Point | 114.00 to 115.00 °C. @ 15.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point | 243.00 °F. TCC ( 117.22 °C. ) |
| logP (o/w) | 4.313 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. Fruity pear-like
|
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description |
fruity green kiwi pear tropical herbal artichoke tea Tea-like taste with a fruity pear topnot
|
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 (Z)-3-hexen-1-yl (E)-2-hexenoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 20.00000 |
| beverages(nonalcoholic) | 4.00000 |
| beverages(alcoholic) | 20.00000 |
| breakfast cereal | 4.00000 |
| cheese | - |
| chewing gum | 80.00000 |
| condiments / relishes | - |
| confectionery froastings | 10.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 20.00000 |
| fruit ices | 10.00000 |
| gelatins / puddings | 10.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 20.00000 |
| imitation dairy | - |
| instant coffee / tea | 8.00000 |
| jams / jellies | 20.00000 |
| meat products | - |
| milk products | 4.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 20.00000 |
| soft candy | 20.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Potential Uses
Natural Occurrence
Synonyms
trans-
hex-2-enoic acid cis-hex-3-enyl ester
(3Z)-
hex-3-en-1-yl (2E)-hex-2-enoate
[(Z)-
hex-3-enyl] (E)-hex-2-enoate
cis-3-
hexen-1-yl trans-2-hexenoate
2-
hexenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-
2-
hexenoic acid, 3-hexenyl ester, (E,Z)-
(Z)-3-
hexenyl (E)-2-hexenoate
(3Z)-
hexenyl (E)-hexenoate
C3
hexenyl T2 hexenoate
cis-3-
hexenyl trans-2-hexenoate
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