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101745 Sigma-Aldrich

4-Heptanone

98%

Synonym: Butyrone, Dipropyl ketone

  • CAS Number 123-19-3

  • Linear Formula (CH3CH2CH2)2CO

  • Molecular Weight 114.19

  •  Beilstein/REAXYS Number 1699049

  •  EC Number 204-608-9

  •  MDL number MFCD00009403

  •  PubChem Substance ID 24846552

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones,
vapor density   3.93 (vs air)
vapor pressure   5.2 mmHg ( 20 °C)
InChI Key   HCFAJYNVAYBARA-UHFFFAOYSA-N
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.)

Description

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.

Packaging

5, 100, 500 mL in glass bottle

Biochem/physiol Actions

4-Heptanone is the major β-oxidation metabolite of di (2-ethylhexyl) phthalate (plasticizer used in plyvinyl chloride products) in humans.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
RIDADR 
UN 2710 3 / PGIII
WGK Germany 
2
RTECS 
MJ5600000
Flash Point(F) 
120.2 °F
Flash Point(C) 
49 °C

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Protocols & Articles

Articles

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

From our library of Articles, Sigma-Aldrich presents GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 μm DVB/Carboxen/PDMS Fiber
Keywords: Chromatography, Gas chromatography, Mass spectrometry, Purification, Size-exclusion chromatography, Solid phase microextractions

Peer-Reviewed Papers
15

References

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