101745

4-ヘプタノン

98%

• 別名: ジプロピルケトン, ブチロン
• 化学式: (CH₃CH₂CH₂)₂CO
• CAS番号: 123-19-3
• 分子量: 114.19
• Beilstein: 1699049
• EC Number: 204-608-9
• MDL番号: MFCD00009403
• UNSPSCコード: 12352100
• PubChem Substance ID: 24846552
• NACRES: NA.22

特性

• 蒸気密度: 3.93 (vs air)
• 蒸気圧: 5.2 mmHg ( 20 °C)
• アッセイ: 98%
• 屈折率: n20/D 1.407 (lit.)
• bp: 145 °C (lit.)
• mp: −33 °C (lit.)
• 溶解性: H₂O: insoluble; alcohol: soluble; diethyl ether: soluble
• 密度: 0.817 g/mL at 25 °C (lit.)
• SMILES記法: CCCC(=O)CCC
• InChI: 1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
• InChI Key: HCFAJYNVAYBARA-UHFFFAOYSA-N

詳細

詳細

4-Heptanone is a volatile constituent of human urine.

アプリケーション

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.

生物化学的／生理学的作用

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

安全性情報

• ピクトグラム: GHS02,GHS07
• シグナルワード: Warning
• 危険有害性情報: H226,H332
• 注意書き: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• 危険有害性の分類: Acute Tox. 4 Inhalation - Flam. Liq. 3
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 2
• 引火点(°F): 120.2 °F - closed cup
• 引火点(℃): 49 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter