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Key Documents

W257525

Sigma-Aldrich

Hexyl octanoate

natural (US), ≥97%, FG

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About This Item

Linear Formula:
CH3(CH2)6CO2(CH2)5CH3
CAS Number:
Molecular Weight:
228.37
FEMA Number:
2575
MDL number:
UNSPSC Code:
12164502
Flavis number:
09.113
NACRES:
NA.21

biological source

botanical

Quality Level

grade

FG
Fragrance grade
Halal
Kosher
natural (US)

agency

follows IFRA guidelines

reg. compliance

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

assay

≥97%

refractive index

n20/D 1.431 (lit.)

bp

307 °C (lit.)

density

0.86 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

apple; berry; green; waxy; fruity

SMILES string

CCCCCCCC(=O)OCCCCCC

InChI

1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3

InChI key

PBGWNXWNCSSXCO-UHFFFAOYSA-N

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Related Categories

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup


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