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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

Quality Level

biological source

synthetic

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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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.

Packaging

4 kg in steel drum
1 kg in poly bottle

Legal Information

For R&D Use and/or Food Manufacturing only

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

177.8 °F - closed cup

Flash Point(C)

81 °C - closed cup

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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