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W220108

Butyl hexanoate

≥98%, FG

Synonym(s):

Butyl caproate, Hexanoic acid butyl ester, NSC 4022

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About This Item

Linear Formula:
CH3(CH2)4CO2(CH2)3CH3
CAS Number:
626-82-4
Molecular Weight:
172.26
FEMA Number:
2201
Council of Europe no.:
313
UNSPSC Code:
12164502
PubChem Substance ID:
24900912
Flavis number:
9.063
EC Number:
210-964-6
NACRES:
NA.21
MDL number:
MFCD00053804
Organoleptic:
berry; fruity
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

300, 400

grade

FG, Halal, 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

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.

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Storage Class

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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