Butyl hexanoate
Synonym(s):Butyl caproate;Hexanoic acid butyl ester;NSC 4022
- CAS NO.:626-82-4
- Empirical Formula: C10H20O2
- Molecular Weight: 172.26
- MDL number: MFCD00053804
- EINECS: 210-964-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-22 20:27:16
What is Butyl hexanoate?
Chemical properties
Colorless liquid. B.P. 208°C. Sp.Gr. 0.862. Very slightly soluble in water, soluble in alcohol and oils. Heavy vinous-fruity odor, reminiscent of overripe Pineapple, yet pleasant in high dilution.
Occurrence
Reported found in fresh apple, apple juice, apricot, banana and orange juice.
The Uses of Butyl hexanoate
Butyl Hexanoate is used in preparation of low viscosity and high flammability ester synthetic oil.
Preparation
By esterification of hexanoic acid with n-butyl alcohol in benzene solution in the presence of p-toluene sulfonic acid; it is also formed in the fermentation of carbohydrates yielding n-butyl alcohol and acetone.
Definition
ChEBI: Butyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches. It has a role as a flavouring agent, a human metabolite, a plant metabolite and an insect attractant. It is a hexanoate ester and a volatile organic compound. It is functionally related to a butan-1-ol.
Aroma threshold values
Detection: 700 ppb to 10 ppm
Taste threshold values
Taste characteristics at 10 ppm: fruity, pineapple, green, waxy, tutti-frutti with a slight fermented fruit note.
Synthesis Reference(s)
Journal of the American Chemical Society, 79, p. 4759, 1957 DOI: 10.1021/ja01574a045
General Description
Butyl hexanoate is an aliphatic ester that can be used as a flavoring agent. It is one of the main volatile compounds found in apples. Along with red sticky sphere traps, butyl hexanoate can also act as an odor lure for apple maggot flies.
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Properties of Butyl hexanoate
Melting point: | -64.3°C |
Boiling point: | 61-62 °C/3 mmHg (lit.) |
Density | 0.866 g/mL at 25 °C (lit.) |
refractive index | 1.416 |
FEMA | 2201 | BUTYL HEXANOATE |
Flash point: | 178 ºF |
storage temp. | Sealed in dry,Room Temperature |
form | clear liquid |
color | Colorless |
Odor | at 100.00 %. fruity pineapple berry apple juicy green winey waxy cognac soapy |
JECFA Number | 162 |
CAS DataBase Reference | 626-82-4(CAS DataBase Reference) |
NIST Chemistry Reference | Hexanoic acid, butyl ester(626-82-4) |
EPA Substance Registry System | Hexanoic acid, butyl ester (626-82-4) |
Safety information for Butyl hexanoate
Computed Descriptors for Butyl hexanoate
New Products
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID 4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Diclofenac Sodium IP/BP/EP/USP Mefenamic Acid IP/BP/EP/USP Ornidazole IP Diclofenac Potassium 3-Bromopyrazole (3aR,4R,5R,6aS)-hexahydro-5-Triethyl silyloxy-4-((E)-3-oxo-5-phenylpent-1- enyl)cyclopenta[b]furan-2-one. 1-Chlorocarbonyl-4-piperidinopiperidine 1-Bromo-4-phenyl-2-Butanone 4-Amino-2-fluoro-N-methylbenzamide 1,1'-Carbonyldiimidazole SODIUM AAS SOLUTION ZINC AAS SOLUTION BUFFER SOLUTION PH 10.0(BORATE) GOOCH CRUCIBLE SINTERED AQUANIL 5 BERYLLIUM AAS SOLUTIONRelated products of tetrahydrofuran
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