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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:
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.

Recommended products

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

Signal Word

Warning

Hazard Statements

H226,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

120.2 °F - closed cup

Flash Point(C)

49 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

46204-BULK:
46204-VAR:
46204-5ML:4548173373287

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ1170
BCCF9802
BCBW5075
SZBD057XV
SZB8164XV

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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
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
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
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
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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Protocols

GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 µm DVB/Carboxen/PDMS Fiber

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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