3-octanon-1-ol
3-oxo-1-octanol
Identification
| Name | 3-octanon-1-ol |
| IUPAC | 3-(hydroxymethyl)heptan-2-one |
| CAS Number | 65405-68-7 |
| EINECS | 265-739-5 |
| FDA UNII | NWU4UN7SMJ |
| Molecular Formula | C8 H16 O2 |
| Molecular Weight | 144.21392000 |
| Nikkaji Number | J307.394G |
| CoE Number | 592 |
Regulatory
| JECFA Food Flavoring | 604 3-(hydroxymethyl)-2-heptanone |
| FEMA Number | 2804 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 65405-68-7 ; 3-(HYDROXYMETHYL)-2-HEPTANONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 90.00 to 100.00 |
| Additional Assay Information | 1-hydroxy-3-octanone: 5% - 10% |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94500 to 0.94900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.863 to 7.897 |
| Refractive Index | 1.44400 to 1.44700 @ 20.00 °C. |
| Boiling Point | 94.00 to 96.00 °C. @ 9.00 mm Hg |
| Vapor Pressure | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point | 196.00 °F. TCC ( 91.11 °C. ) |
| logP (o/w) | 1.157 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3-octanon-1-ol usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 7.00 (μg/capita/day) |
| baked goods | 0.60000 |
| 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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Potential Uses
Natural Occurrence
Synonyms
2-
acetyl-1-hexanol
caproyl ethanol
2-
heptanone, 3-(hydroxymethyl)-
hexanoyl ethanol
3-
hydroxymethyl-2-heptanone
3-(
hydroxymethyl) heptan-2-one
3-(
hydroxymethyl)-2-heptanone
3-(
hydroxymethyl)heptan-2-one
ketone alcohol
methylol methyl amyl ketone
octan-3-on-1-ol
3-oxo-1-
octanol
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