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W280220

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
Flavis number:
7.019
PubChem Substance ID:
329830534
UNSPSC Code:
12164502
FEMA Number:
2802
NACRES:
NA.21
EC Number:
203-837-1
MDL number:
MFCD00009540
Beilstein/REAXYS Number:
635843
Organoleptic:
woody; earthy
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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Quality Level

400

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

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL5757
MKCF3639
MKBQ5643V

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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
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
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
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Global Trade Item Number

SKUGTIN
W280220-SAMPLE-K04061834355724
W280220-500G-K04061834397021