101745
4-Heptanone
98%
Synonym(s):
Butyrone, Dipropyl ketone
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About This Item
Linear Formula:
(CH3CH2CH2)2CO
CAS Number:
Molecular Weight:
114.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-608-9
Beilstein/REAXYS Number:
1699049
MDL number:
Assay:
98%
vapor density
3.93 (vs air)
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
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.
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signalword
Warning
hcodes
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
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 101745-100ML | 04061838668462 |
| 101745-5ML | 04061838668486 |
| 101745-500ML | 04061838668479 |