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W220108

Sigma-Aldrich

Butyl hexanoate

≥98%, FG

Synonym(s):
Butyl caproate, Hexanoic acid butyl ester, NSC 4022
Linear Formula:
CH3(CH2)4CO2(CH2)3CH3
CAS Number:
Molecular Weight:
172.26
FEMA Number:
2201
EC Number:
Council of Europe no.:
313
MDL number:
PubChem Substance ID:
Flavis number:
9.063
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

Assay

≥98%

refractive index

n20/D 1.416 (lit.)

bp

61-62 °C/3 mmHg (lit.)

density

0.866 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

berry; fruity

SMILES string

CCCCCC(=O)OCCCC

InChI

1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

InChI key

RPRPDTXKGSIXMD-UHFFFAOYSA-N

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This Item
W254908W256803W257206
Butyl hexanoate ≥98%, FG

Sigma-Aldrich

W220108

Butyl hexanoate

Heptyl butyrate ≥98%, FG

Sigma-Aldrich

W254908

Heptyl butyrate

Hexyl butyrate ≥98%, FG

Sigma-Aldrich

W256803

Hexyl butyrate

Hexyl hexanoate ≥97%, FG

Sigma-Aldrich

W257206

Hexyl hexanoate

grade

FG, Kosher

grade

FG, Kosher

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

assay

≥98%

assay

≥98%

assay

≥98%

assay

≥97%

refractive index

n20/D 1.416 (lit.)

refractive index

n20/D 1.4215 (lit.)

refractive index

n20/D 1.417 (lit.)

refractive index

n20/D 1.424 (lit.)

bp

61-62 °C/3 mmHg (lit.)

bp

225-226 °C (lit.)

bp

205 °C (lit.)

bp

245-246 °C (lit.)

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

177.8 °F - closed cup

Flash Point(C)

81 °C - closed cup


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Evaluation of odor lures for use with red sticky spheres to trap apple maggot (Diptera: Tephritidae).
Reynolds AH & Prokopy RJ.
Journal of Economic Entomology, 90(6), 1655-1660 (1997)
Fruit odor discrimination and sympatric host race formation in Rhagoletis
Linn C, et al
Proceedings of the National Academy of Sciences of the USA, 100(20), 11490-11493 (2003)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 341-342 (1997)
M Guadalupe Sánchez-Otero et al.
Environmental technology, 31(10), 1101-1106 (2010-08-20)
The recombinant lipase LipMatCCR11 from the thermophilic strain Geobacillus thermoleovorans CCR11 was applied in the synthesis of n-butyl caproate via transesterification in hexane and xylene. The short chain flavour ester was obtained by alcoholysis from ethyl caproate and n-butyl alcohol
K Takahashi et al.
Biochemical and biophysical research communications, 131(2), 532-536 (1985-09-16)
Lipoprotein lipase was modified with 2,4-bis(O-methoxypolyethylene glycol)-6-chloro-s-triazine; forty-six percent out of seven amino groups in the molecule were substituted. The modified lipase catalyzed ester-exchange reactions between an ester and an alcohol, between an ester and an acid, and between two

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