5-methyl hexanoic acid
5-methylhexanoic acid
Identification
| Name | 5-methyl hexanoic acid |
| IUPAC | 5-methylhexanoic acid |
| CAS Number | 628-46-6 |
| FDA UNII | N1AK4X34C2 |
| Molecular Formula | C7 H14 O2 |
| Molecular Weight | 130.18698000 |
| MDL Number | MFCD00036494 |
| Nikkaji Number | J95.660K |
| Beilstein | 1744722 |
| CoE Number | 10142 |
| XlogP3 | 2.20 (est) |
Regulatory
| JECFA Food Flavoring | 266 5-methylhexanoic acid |
| DG SANTE Food Flavourings | 08.061 5-methylhexanoic acid |
| FEMA Number | 3572 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 628-46-6 ; 5-METHYLHEXANOIC ACID |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90700 to 0.91700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.547 to 7.630 |
| Refractive Index | 1.41700 to 1.42700 @ 20.00 °C. |
| Melting Point | -25.00 °C. @ 760.00 mm Hg |
| Boiling Point | 90.00 °C. @ 5.00 mm Hg, 216.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.058000 mmHg @ 25.00 °C. (est) |
| Flash Point | 215.00 °F. TCC ( 101.67 °C. ) |
| logP (o/w) | 2.070 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | > 168 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in propylene glycol. fatty, cheesy Sour, fatty-cheese; Oily-fruity in dilution
|
| Taste Description |
fatty fruity
|
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 | flavoring agents |
| Recommendation for 5-methyl hexanoic acid usage levels up to | not for fragrance use. |
| 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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