3-hexenal
(Z+E)-3-hexenal
Identification
| Name | 3-hexenal |
| IUPAC | hex-3-enal |
| CAS Number | 4440-65-7 |
| EINECS | 224-659-0 |
| FDA UNII | 3300F8DZ5A |
| Molecular Formula | C6 H10 O |
| Molecular Weight | 98.14490000 |
| CoE Number | 5192 |
Regulatory
| JECFA Food Flavoring | 1271 3-hexenal |
| DG SANTE Food Flavourings | 05.192 3-hexenal |
| FDA Mainterm (SATF) | 4440-65-7 ; 3-HEXENAL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 80.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Boiling Point | 57.00 °C. @ 28.00 mm Hg, 127.00 to 128.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 11.202000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w) | 1.432 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 4 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. at 1.00 %. Substantive and powerful fresh green apple note, with banana, pumpkin and parsley undertones
|
| Taste Description |
at 1.00 - 10.00 ppm. Sharp, green, grassy
|
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 3000 mg/kg |
| 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 3-hexenal usage levels up to | 0.5000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 24.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 53.00 (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 | 4.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 0.20000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 1.00000 |
| fruit ices | - |
| gelatins / puddings | 2.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | 3.50000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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