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101745

4-Heptanone

98%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846552
EC Number:
204-608-9
Beilstein/REAXYS Number:
1699049
MDL number:
MFCD00009403
Assay:
98%
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vapor density

3.93 (vs air)

Quality Segment

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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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Codes

H226,H332

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 (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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