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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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC6654
BCBW1948
BCBS2809V
BCBT9138

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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)
D G Laing et al.
Chemical senses, 28(1), 57-69 (2002-12-28)
Increasing the concentration of an odorant increases the number of receptor cells and glomeruli in the olfactory bulb that are stimulated, and it is commonly acknowledged that these represent increased numbers of receptor types. Currently, it is not known whether
B H Smith
Behavioral neuroscience, 111(1), 57-69 (1997-02-01)
Studies of blocking between elements from the same stimulus modality elucidate how animals analyze such mixtures. Proboscis-extension conditioning of honey bees was used to examine the role of unconditioned stimulus (US) intensity in blocking in odorant mixtures. Several predictions from
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Global Trade Item Number

SKUGTIN
138150-25G04061831828320
138150-1G04061825582962
138150-5G04061831809794
02479-5ML04061837239755
02479-1ML04061838617354