(Z)-3-hexen-1-yl pyruvate
(Z)-3-hexenyl 2-oxopropionate
Identification
| Name | (Z)-3-hexen-1-yl pyruvate |
| IUPAC | [(Z)-hex-3-enyl] 2-oxopropanoate |
| CAS Number | 68133-76-6 |
| EINECS | 268-703-7 |
| FDA UNII | 74TLP5254U |
| Molecular Formula | C9 H14 O3 |
| Molecular Weight | 170.20818000 |
| MDL Number | MFCD00036527 |
| Nikkaji Number | J208.887H |
| CoE Number | 10684 |
Regulatory
| JECFA Food Flavoring | 1846 (Z)-3-hexenyl 2-oxopropionate |
| DG SANTE Food Flavourings | 09.565 (3Z)-hexenyl 2-oxopropanoate |
| FEMA Number | 3934 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 68133-76-6 ; (Z)-3-HEXENYL PYRUVATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98200 to 0.99000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.171 to 8.238 |
| Refractive Index | 1.43700 to 1.44500 @ 20.00 °C. |
| Boiling Point | 75.00 to 77.00 °C. @ 5.00 mm Hg, 65.00 °C. @ 0.10 mm Hg |
| Vapor Pressure | 0.054000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 200.00 °F. TCC ( 93.33 °C. ) |
| logP (o/w) | 1.848 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 17 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 1.00 %. Green, spicy, caramellic
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 1.00 - 15.00 ppm. oily green
|
Safety Information
| Preferred SDS | View |
| 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 |
| Recommendation for (Z)-3-hexen-1-yl pyruvate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.74 (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 | 16.00000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | 4.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.10000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 7.00000 |
| fruit ices | - |
| gelatins / puddings | 4.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.20000 |
| 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 | - |
| 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 |
Bedoukian Research, Inc.
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Beijing Lys Chemicals Co, LTD.
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M&U International LLC
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Penta International Corporation
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Synerzine, Inc.
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Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
(3Z)-
hex-3-en-1-yl 2-oxopropanoate
(Z)-
hex-3-enyl pyruvate
[(Z)-
hex-3-enyl] 2-oxopropanoate
(Z)-3-
hexen-1-yl 2-oxopropionate
cis-3-
hexen-1-yl pyruvate
(3Z)-
hexenyl 2-oxopropanoate
(Z)-3-
hexenyl 2-oxopropionate
(Z)-3-
hexenyl pyruvate
cis-3-
hexenyl pyruvate
2-oxo-
propanoic acid (3Z)-3-hexen-1-yl ester
(Z)-2-oxo-
propanoic acid 3-hexen-1-yl ester
propanoic acid, 2-oxo-, (3Z)-3-hexen-1-yl ester
propanoic acid, 2-oxo-, (3Z)-3-hexenyl ester
propanoic acid, 2-oxo-, 3-hexenyl ester, (Z)-
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