hydroxymethyl hexyl ethyl ketone
3-(hydroxymethyl)-2-octanone
Identification
| Name | hydroxymethyl hexyl ethyl ketone |
| IUPAC | 3-(hydroxymethyl)octan-2-one |
| CAS Number | 59191-78-5 |
| EINECS | 261-652-1 |
| FDA UNII | 9O1364HRDW |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
| Nikkaji Number | J308.643G |
| CoE Number | 11113 |
Regulatory
| JECFA Food Flavoring | 1839 3-(hydroxymethyl)-2-octanone |
| DG SANTE Food Flavourings | 07.097 3-(hydroxymethyl)octan-2-one |
| FEMA Number | 3292 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 59191-78-5 ; 3-(HYDROXYMETHYL)-2-OCTANONE |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 92.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87400 to 0.87800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.273 to 7.306 |
| Refractive Index | 1.41600 to 1.42200 @ 20.00 °C. |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg, 78.00 to 84.00 °C. @ 2.00 mm Hg |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | 213.00 °F. TCC ( 100.56 °C. ) |
| logP (o/w) | 1.653 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 hydroxymethyl hexyl ethyl ketone usage levels up to | 0.6000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 15.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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 | - |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
Synonyms
3-
hydroxymethyl-2-octanone
3-(
hydroxymethyl) octan-2-one
3-(
hydroxymethyl)-2-octanone
3-(
hydroxymethyl)octan-2-one
2-
octanone, 3-(hydroxymethyl)-
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