green hexanal
vandor B (IFF)
Identification
| Name | green hexanal |
| IUPAC | 3,5,5-trimethylhexanal |
| CAS Number | 5435-64-3 |
| EINECS | 226-603-0 |
| FDA UNII | U62H30BXPJ |
| Molecular Formula | C9 H18 O |
| Molecular Weight | 142.24166000 |
| MDL Number | MFCD00010441 |
| Nikkaji Number | J64.760H |
| Beilstein | 1740882 |
| CoE Number | 10384 |
Regulatory
| JECFA Food Flavoring | 269 3,5,5-trimethylhexanal |
| DG SANTE Food Flavourings | 05.116 3,5,5-trimethylhexanal |
| FEMA Number | 3524 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5435-64-3 ; 3,5,5-TRIMETHYLHEXANAL |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81700 to 0.82500 @ 25.00 °C., 0.81800 to 0.82600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.798 to 6.865 |
| Pounds per Gallon - est. | 6.815 to 6.881 |
| Refractive Index | 1.41900 to 1.42400 @ 20.00 °C. |
| Boiling Point | 67.00 to 68.00 °C. @ 2.50 mm Hg, 142.00 °C. @ 150.00 mm Hg |
| Acid Value | 10.00 max. KOH/g |
| Vapor Pressure | 0.140000 mmHg @ 25.00 °C. (est) |
| Flash Point | 116.00 °F. TCC ( 46.67 °C. ) |
| logP (o/w) | 3.051 (est) |
| Soluble in | alcohol |
| Stability | alcoholic lotion |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 5 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Powerful aldehydic green note with a fresh clean impression Floral-lily and rose, fresh-aldehydic, green, clean
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description | green weedy grassy herbal aldehydic citrus fatty |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 3240 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 2500 mg/kg |
| 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 green hexanal usage levels up to | 1.0000 % in the fragrance concentrate. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| 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 | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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