4-METHYL-1-PENTENE-3-ONE结构式
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常用名 | 4-METHYL-1-PENTENE-3-ONE | 英文名 | 4-METHYL-1-PENTENE-3-ONE |
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CAS号 | 1606-47-9 | 分子量 | 98.14300 | |
密度 | 0.816g/cm3 | 沸点 | 122.3ºC at 760mmHg | |
分子式 | C6H10O | 熔点 | N/A | |
MSDS | N/A | 闪点 | 23.4ºC |
英文名 | 4-methylpent-1-en-3-one |
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英文别名 | 更多 |
密度 | 0.816g/cm3 |
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沸点 | 122.3ºC at 760mmHg |
分子式 | C6H10O |
分子量 | 98.14300 |
闪点 | 23.4ºC |
精确质量 | 98.07320 |
PSA | 17.07000 |
LogP | 1.39750 |
蒸汽压 | 14mmHg at 25°C |
折射率 | 1.406 |
稳定性 | 1. 存在于主流烟气中。 |
分子结构 | 1、 摩尔折射率:29.55 2、 摩尔体积(cm3/mol):120.1 3、 等张比容(90.2K):262.3 4、 表面张力(dyne/cm):22.7 5、 极化率(10-24cm3):11.71 |
计算化学 | 1.疏水参数计算参考值(XlogP):1.6 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积17.1 7.重原子数量:7 8.表面电荷:0 9.复杂度:82.2 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
更多 | 1. 沸点(ºC):110~112 2. 相对密度(d204) :0.847 3.折射率 (n20D) :1.4303 |
海关编码 | 2914190090 |
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~% 4-METHYL-1-PENT... 1606-47-9 |
文献:GLAXO GROUP LIMITED Patent: WO2006/398 A1, 2006 ; Location in patent: Page/Page column 36 ; |
~61% 4-METHYL-1-PENT... 1606-47-9 |
文献:Rickerby, Jenny; Vallet, Martial; Bernardinelli, Gerald; Viton, Florian; Kuendig, E. Peter Chemistry - A European Journal, 2007 , vol. 13, # 12 p. 3354 - 3368 |
~58% 4-METHYL-1-PENT... 1606-47-9 |
文献:Mihelich, Edward D.; Eickhoff, David J. Journal of Organic Chemistry, 1983 , vol. 48, # 22 p. 4135 - 4137 |
~% 4-METHYL-1-PENT... 1606-47-9 |
文献:Barker, Mike; Clackers, Margaret; Copley, Royston; Demaine, Derek A.; Humphreys, Davina; Inglis, Graham G. A.; Johnston, Michael J.; Jones, Haydn T.; Haase, Michael V.; House, David; Loiseau, Richard; Nisbet, Lesley; Pacquet, Francois; Skone, Philip A.; Shanahan, Stephen E.; Tape, Dan; Vinader, Victoria M.; Washington, Melanie; Uings, Iain; Upton, Richard; McLay, Iain M.; Macdonald, Simon J. F. Journal of Medicinal Chemistry, 2006 , vol. 49, # 14 p. 4216 - 4231 |
~% 4-METHYL-1-PENT... 1606-47-9 |
文献:Hampel, Thomas; Brueckner, Reinhard Organic Letters, 2009 , vol. 11, # 21 p. 4842 - 4845 |
~% 4-METHYL-1-PENT... 1606-47-9 |
文献:Fleming, Ian; Goldhill, Jon Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 1493 - 1498 |
~% 4-METHYL-1-PENT... 1606-47-9 |
文献:Baisted,D.J.; Whitehurst,J.S. Journal of the Chemical Society, 1965 , p. 2340 - 2349 |
海关编码 | 2914190090 |
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中文概述 | 2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% |
申报要素 | 品名, 成分含量, 用途, 丙酮报明包装 |
Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
4-Methyl-1-penten-3-one |
isopropylacrolein |
Isopropyl vinyl ketone |
4-methyl-3-oxo-1-pentene |
4-METHYL-1-PENTENE-3-ONE |
vinyl isopropyl ketone |
3-oxo-4-methyl-1-pentene |
methyl-4 pentene-1 one-3 |
1-PENTEN-3-ONE,4-METHYL |
2-methyl-4-penten-3-one |