101745
4-Heptanone
98%
Synonym(s):
Butyrone, Dipropyl ketone
Sign Into View Organizational & Contract Pricing
All Photos(1)
About This Item
Linear Formula:
(CH3CH2CH2)2CO
CAS Number:
Molecular Weight:
114.19
Beilstein:
1699049
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
vapor density
3.93 (vs air)
Quality Level
vapor pressure
5.2 mmHg ( 20 °C)
Assay
98%
refractive index
n20/D 1.407 (lit.)
bp
145 °C (lit.)
mp
−33 °C (lit.)
solubility
H2O: insoluble
alcohol: soluble
diethyl ether: soluble
density
0.817 g/mL at 25 °C (lit.)
functional group
ketone
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
Looking for similar products? Visit Product Comparison Guide
Related Categories
General description
4-Heptanone is a volatile constituent of human urine.
Application
4-Heptanone was used in the quantitative analysis of 4-Heptanone in urine samples by gas chromatography-mass spectrometry. 4-Heptanone was used to evaluate the enantioselectivity and catalytic ability of the 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB.
Biochem/physiol Actions
4-Heptanone is the major β-oxidation metabolite of di (2-ethylhexyl) phthalate (plasticizer used in plyvinyl chloride products) in humans.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
Customers Also Viewed
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
Nanne M Kamerbeek et al.
Applied and environmental microbiology, 69(1), 419-426 (2003-01-07)
The 4-hydroxyacetophenone monooxygenase (HAPMO) from Pseudomonas fluorescens ACB catalyzes NADPH- and oxygen-dependent Baeyer-Villiger oxidation of 4-hydroxyacetophenone to the corresponding acetate ester. Using the purified enzyme from recombinant Escherichia coli, we found that a broad range of carbonylic compounds that are
Ingrid Kohl et al.
Journal of breath research, 7(1), 017110-017110 (2013-03-01)
We report on the search for low molecular weight molecules-possibly accumulated in the bloodstream and body-in the exhaled breath of uremic patients with kidney malfunction. We performed non-invasive analysis of the breath gas of 96 patients shortly before and several
V Walker et al.
Clinica chimica acta; international journal of clinical chemistry, 306(1-2), 51-61 (2001-04-03)
4-Heptanone is a common volatile constituent of human urine and is of unknown origin. We hypothesised that it arises from in vivo beta-oxidation of 2-ethylhexanoic acid (EHA) from plasticisers, similar to formation of 3-heptanone from valproic acid. We investigated urine
A Costa et al.
Metabolism: clinical and experimental, 51(3), 372-375 (2002-03-12)
High uric acid concentration is a common finding in subjects with risk factors for cardiovascular disease (CVD), including some characteristics of the metabolic syndrome. However, its exact role in this setting and in the progression to type 2 diabetes mellitus
Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.
Contact Technical Service