3-methyl hexanal
3-methylhexanal
Identification
| Name | 3-methyl hexanal |
| IUPAC | 3-methylhexanal |
| CAS Number | 19269-28-4 |
| FDA UNII | XUF7U8UTGI |
| Molecular Formula | C7 H14 O |
| Molecular Weight | 114.18778000 |
| MDL Number | MFCD19622807 |
| Nikkaji Number | J121.732A |
| Beilstein | 1699485 |
Regulatory
| JECFA Food Flavoring | 2173 3-methylhexanal |
| DG SANTE Food Flavourings | 05.219 3-methylhexanal |
| FEMA Number | 4261 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 19269-28-4 ; 3-METHYLHEXANAL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.70 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.74500 to 0.81100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.199 to 6.748 |
| Refractive Index | 1.40100 to 1.40500 @ 20.00 °C. |
| Boiling Point | 143.00 to 144.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 5.920000 mmHg @ 25.00 °C. (est) |
| Flash Point | 91.00 °F. TCC ( 32.60 °C. ) (est) |
| logP (o/w) | 2.286 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | sweet green |
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 | flavoring agents |
| Recommendation for 3-methyl hexanal usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | N/A (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | 0.50000 |
| breakfast cereal | 0.50000 |
| cheese | - |
| chewing gum | 0.50000 |
| condiments / relishes | - |
| confectionery froastings | 0.50000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.50000 |
| fruit ices | 0.50000 |
| gelatins / puddings | 0.50000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.50000 |
| imitation dairy | 0.50000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 0.50000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.50000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.50000 |
| snack foods | 0.50000 |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 0.50000 |
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Potential Uses
Natural Occurrence
Synonyms
hexanal, 3-methyl-
3-
methylhexanal
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