3-heptanone
ethyl butyl ketone
Identification
| Name | 3-heptanone |
| IUPAC | heptan-3-one |
| CAS Number | 106-35-4 |
| EINECS | 203-388-1 |
| FDA UNII | 10GA6SR3AT |
| Molecular Formula | C7 H14 O |
| Molecular Weight | 114.18778000 |
| MDL Number | MFCD00009483 |
| Nikkaji Number | J35.922J |
| Beilstein | 0506161 |
| CoE Number | 137 |
Regulatory
| JECFA Food Flavoring | 285 3-heptanone |
| DG SANTE Food Flavourings | 07.003 heptan-3-one |
| FEMA Number | 2545 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 106-35-4 ; 3-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 | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Melting Point | -39.00 °C. @ 760.00 mm Hg |
| Boiling Point | 146.00 to 148.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 4.215000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.93 ( Air = 1 ) |
| Flash Point | 106.00 °F. TCC ( 41.11 °C. ) |
| logP (o/w) | 1.996 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 1 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. Fruity ketonic, sweet with a musty cheese-like note ethereal banana-like Fruity, Green, Fatty
|
| Taste Description |
fruity at 50.00 ppm. fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2760 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 20 ml/kg |
| Inhalation Toxicity | inhalation-rat LCLo 2000 ppm/4H |
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-heptanone usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.30 (μg/capita/day) |
| baked goods | 0.25000 |
| beverages(nonalcoholic) | 0.13000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.25000 |
| fruit ices | 0.25000 |
| 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 | - |
Alfrebro LLC/ Archer Daniels Midland Company
Let's get reacquainted
Building great taste with aroma chemicals, extracts, and distillates
Bedoukian Research, Inc.
Perfecting the Art of Chemistry
Working closely with our customers to meet their requirements.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Potential Uses
Natural Occurrence
Synonyms
butyl ethyl ketone
N-
butyl ethyl ketone
ethyl butyl ketone
ethyl N-butyl ketone
ethyl-N-butyl ketone
ethylbutylcetone
ethylbutylketone
etilbutilchetone
heptan-3-one
3-
heptanone
ketone, butyl ethyl
US Patents:
3,952,024 - Furfurylthioacetone
US Patents:
Certain 2,5-dimethyl-3-thiopyrazines