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Merck
CN

W257508

Hexyl octanoate

≥97%, FG

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About This Item

Linear Formula:
CH3(CH2)6CO2(CH2)5CH3
CAS Number:
1117-55-1
Molecular Weight:
228.37
FEMA Number:
2575
Council of Europe no.:
394
UNSPSC Code:
12164502
PubChem Substance ID:
24901166
Flavis number:
9.113
EC Number:
214-247-9
NACRES:
NA.21
MDL number:
MFCD00048920
Organoleptic:
green; fruity
Grade:
FG
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

Hexyl octanoate, ≥97%, FG

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

biological source

synthetic

grade

FG
Kosher

reg. compliance

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

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

organoleptic

green; fruity

Quality Level

300
400

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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1912
SHBP5917
SHBQ2645
SHBQ0461
SHBM5957

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Elinor M Lichtenberg et al.
Behavioral ecology and sociobiology, 65(4), 763-774 (2011-04-09)
Foragers can improve search efficiency, and ultimately fitness, by using social information: cues and signals produced by other animals that indicate food location or quality. Social information use has been well studied in predator-prey systems, but its functioning within a
Najat H O Bahroun et al.
Analytica chimica acta, 1028, 121-130 (2018-06-10)
Rapid, sensitive, and selective detection and identification of pathogenic bacteria is required in terms of food security. In this study, exogenous VOCs liberated by Salmonella strains have been identified and quantified via head space-solid phase microextraction gas chromatography mass spectrometry

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