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: 2024-06-06 16:23:39
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
Bromine 99.5% AR (4 x 500ml) Fehling's Solution No. B Amino Acid Kit of 23 items set Ammonium Molybdate Reagent Solution Beam's Reagent Solution Ehrlich's Reagent For detection of urobillinogen 4-((2-isopropoxyethoxy)methyl)phenol 4-Hydroxy Carbazole Amino Salicylic Acid. U.S.P. 1,2,3,4-Tetrahydrocarbazol-4-one 2 – Methoxy – 5- Sulfamoyl Benzoic acid Acetone Isobutryl oxime ester Curcuma aromatica Oil Curry leaf Extract Terminalia bellirica Extract Aloe vera extract 200x Withania somnifera (Ashwagandha Extract) Citrus bioflavonoids Extract 5-Nitrosalicylaldehyde 5-(Difluoromethoxy)-2-Mercapto-1H-Benzimidazole- IP/BP/ Ethyl 3-(Pyridin-2-Ylamino)Propanoate Bilastine -IP/BP/ Cypermethric Acid Chloride Methyl Di Chloride (Mdc)Related products of tetrahydrofuran
You may like
-
Butyl Hexanoate CAS 626-82-4View Details
626-82-4 -
Butyl hexanoate CAS 626-82-4View Details
626-82-4 -
7726-95-6 Bromine 99.5% AR (4 x 500ml) 99%View Details
7726-95-6 -
Formamide 99%View Details
75-12-7 -
2, 4-Pyrimidinediamine 3-Oxide 99%View Details
74638-76-9 -
85-81-4 6-Methoxy-8-Nitroquinoline 99%View Details
85-81-4 -
3-Bromo-4,5-Dihydro-1H-Benzo[B]Azepin-2(3H)-One 99%View Details
86499-96-9 -
(−)-Dip-Chloride 85116-37-6 99%View Details
85116-37-6