3-heptanol
butyl ethyl carbinol
Identification
| Name | 3-heptanol |
| IUPAC | heptan-3-ol |
| CAS Number | 589-82-2 |
| EINECS | 209-661-1 |
| FDA UNII | 12YBT48HMK |
| Molecular Formula | C7 H16 O |
| Molecular Weight | 116.20372000 |
| MDL Number | MFCD00004586 |
| Nikkaji Number | J54.004H |
| Beilstein | 1719067 |
| CoE Number | 544 |
| XlogP3 | 2.20 (est) |
Regulatory
| JECFA Food Flavoring | 286 3-heptanol |
| DG SANTE Food Flavourings | 02.044 heptan-3-ol |
| FEMA Number | 3547 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 589-82-2 ; 3-HEPTANOL |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.82000 to 0.82300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.831 to 6.856 |
| Refractive Index | 1.42000 to 1.42300 @ 20.00 °C. |
| Boiling Point | 66.00 °C. @ 20.00 mm Hg, 157.00 °C. @ 750.00 mm Hg |
| Vapor Pressure | 1.028000 mmHg @ 25.00 °C. (est) |
| Flash Point | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w) | 2.240 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1870 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 4360 ul/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 3-heptanol usage levels up to | 0.2000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Structure Class | II |
| 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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