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Merck
CN

46204

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757099
EC Number:
204-608-9
Beilstein/REAXYS Number:
1699049
MDL number:
MFCD00009403

Key Documents

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Product Name

4-Heptanone, analytical standard

InChI key

HCFAJYNVAYBARA-UHFFFAOYSA-N

InChI

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

SMILES string

CCCC(=O)CCC

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

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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.

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.

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

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

Regulatory Information

危险化学品
This item has

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8080
BCCJ1170
BCCF9802
BCBW5075

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H M Liebich
Journal of chromatography, 273(1), 67-75 (1983-03-11)
Total 4-heptanone is the sum of a beta-oxocarboxylic acid, 2-ethyl-3-oxohexanoic acid, and its decarboxylation product, 4-heptanone. The beta-oxocarboxylic acid is found in serum and in urine, and is detected by gas chromatography--mass spectrometry in the form of its methyl ester
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
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
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