| Identification | More | [Name]
Butyl hexanoate | [CAS]
626-82-4 | [Synonyms]
BUTYL CAPROATE
BUTYL HEXANOATE
CAPROIC ACID BUTYL ESTER
CAPROIC ACID-N-BUTYL ESTER
FEMA 2201
HEXANOIC ACID BUTYL ESTER
N-BUTYL CAPROATE
N-BUTYL HEXANOATE
N-CAPROIC ACID N-BUTYL ESTER
N-HEXANOIC ACID N-BUTYL ESTER
Butyl ester of hexanoic acid
Butyl-n-hexanoate
n-Butyl n-hexanoate
BUTYL HEXANOATE 98+%
BUTYL CAPROATE, NATURAL
Capronic acid butyl
Hexanoic acid butyl | [EINECS(EC#)]
210-964-6 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00053804 | [Molecular Weight]
172.26 | [MOL File]
626-82-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
-64.3°C | [Boiling point ]
61-62 °C/3 mmHg (lit.) | [density ]
0.866 | [FEMA ]
2201 | [refractive index ]
1.416 | [Fp ]
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 | [biological source]
synthetic | [Odor Type]
fruity | [JECFA Number]
162 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 | [InChIKey]
RPRPDTXKGSIXMD-UHFFFAOYSA-N | [SMILES]
CCCCCC(=O)OCCCC | [LogP]
3.81 | [CAS DataBase Reference]
626-82-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanoic acid, butyl ester(626-82-4) | [EPA Substance Registry System]
626-82-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 | [Safety Statements ]
24/25 | [WGK Germany ]
2 | [RTECS ]
MO6950000 | [TSCA ]
TSCA listed | [HS Code ]
29156000 | [Storage Class]
10 - Combustible liquids | [Safety Profile]
Low toxicity by
ingestion and skin contact. A skin irritant.
When heated to decomposition it emits
acrid smoke and irritating fumes. |
| Hazard Information | Back Directory | [Chemical Properties]
Butyl hexanoate has a characteristic pineapple-like odor. | [Occurrence]
Reported found in fresh apple, apple juice, apricot, banana and orange juice. | [Uses]
Butyl Hexanoate is used in preparation of low viscosity and high flammability ester synthetic oil. | [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. | [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. | [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. |
|
|