Merck
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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
Número EC:
Número MDL:
ID de substância PubChem:
NACRES:
NA.22

densidade de vapor

3.93 (vs air)

Nível de qualidade

100

pressão de vapor

5.2 mmHg ( 20 °C)

teor

98%

índice de refração

n20/D 1.407 (lit.)

pb

145 °C (lit.)

pf

−33 °C (lit.)

solubilidade

H2O: insoluble
alcohol: soluble
diethyl ether: soluble

densidade

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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Descrição geral

4-Heptanone is a volatile constituent of human urine.

Aplicação

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.

Embalagem

5, 100, 500 mL in glass bottle

Ações bioquímicas/fisiológicas

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

Pictogramas

FlameExclamation mark

Palavra indicadora

Warning

Frases de perigo

Classificações de perigo

Acute Tox. 4 Inhalation - Flam. Liq. 3

Código de classe de armazenamento

3 - Flammable liquids

WGK

WGK 2

Ponto de fulgor (ºF)

120.2 °F - closed cup

Ponto de fulgor (ºC)

49 °C - closed cup

Equipamento de proteção individual

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

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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