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02479

2-Octanone

analytical standard

Synonym(s):

Hexyl methyl ketone

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About This Item

Linear Formula:
CH3(CH2)5COCH3
CAS Number:
111-13-7
Molecular Weight:
128.21
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329747443
EC Number:
203-837-1
Beilstein/REAXYS Number:
635843
MDL number:
MFCD00009540
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grade

analytical standard

Quality Level

100

assay

≥99.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.416

bp

173 °C (lit.)

mp

−16 °C (lit.)

density

0.819 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CCCCCCC(C)=O

InChI

1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

InChI key

ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

General description

2-Octanone is a volatile compound reported to be found in blue cheese, acerola fruit and blue crab.

Application

2-Octanone may be used as an analytical reference standard for the quantification of the analyte in sugar-cane spirits and rum samples and whey protein concentrate using chromatography based techniques.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H312

Hazard Classifications

Acute Tox. 4 Dermal - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

132.8 °F - closed cup

flash_point_c

56 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN2650
BCCJ6454
BCCC6654
BCBW1948
BCBS2809V

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Volatile component change in whey protein concentrate during storage investigated by headspace solid-phase microextraction gas chromatography
Javidipour I and Qian CM
Dairy science & technology, 88(1), 95-104 (2008)
M Krogh et al.
Journal of chromatography. B, Biomedical sciences and applications, 689(2), 357-364 (1997-02-21)
This paper describes microextraction and gas chromatographic analysis of diazepam from human plasma. The method was based on immobilisation of 1.5 microliters of 1-octanol on a polyacrylate-coated fiber designed for solid-phase microextraction. The solvent-modified fibre was used to extract diazepam
Abhishek Bhattacharya et al.
Cell, 176(5), 1174-1189 (2019-01-29)
The specific patterns and functional properties of electrical synapses of a nervous system are defined by the neuron-specific complement of electrical synapse constituents. We systematically examined the molecular composition of the electrical connectome of the nematode C. elegans through a genome-
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