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Merck

W257206

Hexyl hexanoate

≥97%, FG

Synonym(s):

Hexyl caproate

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About This Item

Linear Formula:
CH3(CH2)4CO2(CH2)5CH3
CAS Number:
Molecular Weight:
200.32
FEMA Number:
2572
Council of Europe no.:
316
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.066
EC Number:
228-952-4
NACRES:
NA.21
MDL number:
Organoleptic:
green; vegetable; fruity
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥97%

refractive index

n20/D 1.424 (lit.)

bp

245-246 °C (lit.)

mp

−55 °C (lit.)

density

0.863 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

green; vegetable; fruity

SMILES string

CCCCCCOC(=O)CCCCC

InChI

1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3

InChI key

NCDCLPBOMHPFCV-UHFFFAOYSA-N

General description

Hexyl hexanoate is one of the main flavor components of passion fruit and apples.


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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

210.2 °F - closed cup

flash_point_c

99 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)



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