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W280220

Sigma-Aldrich

2-Octanone

natural, 98%, FG

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
FEMA Number:
2802
Beilstein:
635843
EC Number:
203-837-1
MDL number:
MFCD00009540
UNSPSC Code:
12164502
PubChem Substance ID:
329830534
Flavis number:
7.019
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Agency

follows IFRA guidelines

reg. compliance

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

Assay

98%

refractive index

n20/D 1.416 (lit.)

bp

173 °C (lit.)

mp

−16 °C (lit.)

density

0.819 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

woody; earthy

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

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H312

Precautionary Statements

P210 - P280 - P302 + P352 + P312

Hazard Classifications

Acute Tox. 4 Dermal - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

132.8 °F - closed cup

Flash Point(C)

56 °C - closed cup

Certificates of Analysis (COA)

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Shane Avison et al.
Journal of agricultural and food chemistry, 63(28), 6313-6318 (2015-06-23)
A new methodology is presented to measure water-air partition coefficients (Henry's constants) of volatiles, using APCI-MS. Significant advantages over other Henry's constant determination methods include the short measurement and sample preparation time and the possibility for simultaneous measurement of multiple
Paweł Mochalski et al.
Cell biochemistry and biophysics, 71(1), 323-329 (2014-08-16)
Gas chromatography with mass spectrometric detection combined with head-space needle trap extraction as the pre-concentration technique was applied to identify and quantify volatile organic compounds released or metabolised by human umbilical vein endothelial cells. Amongst the consumed species there were
Éder Costa Oliveira et al.
Talanta, 127, 59-67 (2014-06-11)
Hollow fiber liquid phase microextraction (HFLPME) and solid phase microextraction (SPME) methods for pre-concentration of contaminants (toluene, benzophenone, tetracosane and chloroform) in food simulants were investigated. For HFLPME 1-heptanol, 2-octanone and dibutyl-ether were studied as extracting solvents. Analysis by gas
Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric
Peter S Toth et al.
The Analyst, 140(6), 1947-1954 (2015-02-11)
Two-phase voltammetry has been carried out using a reverse cell configuration, i.e. with the lower density organic solvent on the top of the aqueous solution in the cell, where the organic solvents contain either nitrile or ketone functional groups. The
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