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46204

Supelco

4-Heptanone

analytical standard

Synonym(s):

Butyrone, Dipropyl ketone

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About This Item

Linear Formula:
(CH3CH2CH2)2CO
CAS Number:
123-19-3
Molecular Weight:
114.19
Beilstein/REAXYS Number:
1699049
EC Number:
204-608-9
MDL number:
MFCD00009403
UNSPSC Code:
41116107
PubChem Substance ID:
329757099
NACRES:
NA.24

grade

analytical standard

vapor density

3.93 (vs air)

vapor pressure

5.2 mmHg ( 20 °C)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.407 (lit.)

bp

145 °C (lit.)

mp

−33 °C (lit.)

density

0.817 g/mL at 25 °C (lit.)

application(s)

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

format

neat

SMILES string

CCCC(=O)CCC

InChI

1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

Inchi Key

HCFAJYNVAYBARA-UHFFFAOYSA-N

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Application

4-Heptanone may be used as an analytical reference standard for the quantification of the analyte in cane-sugar spirit and rum samples using high-performance liquid chromatography with diode array detection.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

120.2 °F - closed cup

flash_point_c

49 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ1170
BCCF9802
BCBW5075
SZBD057XV
SZB8164XV

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T H Gan et al.
Analytical chemistry, 72(4), 807-815 (2000-03-04)
The ion mobility (IMS) spectra of the alkanolamines, monoethanolamine (MEA), 3-amino-1-propanol (PRA), 4-amino-1-butanol (BUA), and 5-amino-1-pentanol (PEA) with acetone and 4-heptanone reagent gases have been measured using a hand-held spectrometer. Monomer and dimer peak patterns were observed for all the
Hans Günther Wahl et al.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, 19(10), 2576-2583 (2004-07-29)
There is an ongoing discussion about the risks of di(2-ethylhexyl) phthalate (DEHP) exposure for the general population as well as for specific subgroups in various medical settings. Haemodialysis patients certainly belong to the group with the highest exposure taking into
M Statheropoulos et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 822(1-2), 112-117 (2005-07-06)
A preliminary investigation on the possibility of using volatile organic compounds (VOCs) determination of expired air, blood and urine, for the early location of entrapped people in earthquakes, has been carried out. A group of 15 healthy subjects has been
Fabian M Dayrit et al.
Food additives and contaminants, 21(3), 204-209 (2004-06-16)
3-Monochloro-1,2-propane diol is a suspected carcinogen found in hydrolysed vegetable protein products such as soy sauce. A method is described for the analysis of 3-monochloro-1,2-propane diol in soy sauce by gas chromatography-mass spectrometry at a concentration range of 1-5000 ng
HPLC-DAD analysis of ketones as their 2, 4-dinitrophenylhydrazones in Brazilian sugar-cane spirits and rum
Cardoso D, et al.
J. Food Compos. Anal., 16(5), 563-573 (2003)
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