101745

4-Heptanon

98%

• Synonym(e): Butyron, Dipropylketon
• Lineare Formel: (CH₃CH₂CH₂)₂CO
• CAS-Nummer: 123-19-3
• Molekulargewicht: 114.19
• Beilstein: 1699049
• EG-Nummer: 204-608-9
• MDL-Nummer: MFCD00009403
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24846552
• NACRES: NA.22

Eigenschaften

• Dampfdichte: 3.93 (vs air)
• Qualitätsniveau: 100
• Dampfdruck: 5.2 mmHg ( 20 °C)
• Assay: 98%
• Brechungsindex: n20/D 1.407 (lit.)
• bp: 145 °C (lit.)
• mp (Schmelzpunkt): −33 °C (lit.)
• Löslichkeit: H₂O: insoluble; alcohol: soluble; diethyl ether: soluble
• Dichte: 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
• InChIKey: HCFAJYNVAYBARA-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

4-Heptanone is a volatile constituent of human urine.

Anwendung

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. Wirkung

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

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Warning
• H-Sätze: H226,H332
• P-Sätze: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Gefahreneinstufungen: Acute Tox. 4 Inhalation - Flam. Liq. 3
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 120.2 °F - closed cup
• Flammpunkt (°C): 49 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter