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101745

Sigma-Aldrich

4-Heptanone

98%

Synonym(s):
Butyrone, Dipropyl ketone
Linear Formula:
(CH3CH2CH2)2CO
CAS Number:
Molecular Weight:
114.19
Beilstein:
1699049
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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.)

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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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.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard 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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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