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化合物简介
Pivaldehyde is an organic compound, more specifically an aldehyde. Shown in the image is a line-angle representation of this organic aldehyde, whose systematic name, 2,2-dimethylpropanal, is based on the longest carbon chain (three carbons), ending in \"-al\" to indicate the aldehyde functionality, and where another descriptive synonym is trimethylacetaldehyde. Pivaldehyde is an example of an aldehyde with a sterically bulky R group, the tertiary-butyl group (with 3 methyl groups, at lower left in the image), attached to the carbonyl, >C=O. By definition, the other \"group\", R', is a hydrogen (H) atom, shown here pointing directly upward.
基本信息
CAS:630-19-3
中文别名:新戊醛;2,2-二甲基丙醛;三甲基乙醛;
英文别名:2,2-dimethylpropanal;Propanal, 2,2-dimethyl-;
分子式:C5H10O
分子量:86.1323
精确质量:86.0732
Psa:17.07
Logp:1.2314
中文别名:新戊醛;2,2-二甲基丙醛;三甲基乙醛;
英文别名:2,2-dimethylpropanal;Propanal, 2,2-dimethyl-;
分子式:C5H10O
分子量:86.1323
精确质量:86.0732
Psa:17.07
Logp:1.2314
编号系统
MDL号:MFCD00006962
物化性质
外观与性状:透明略黄色液体
密度:0.793g/mLat 25°C(lit.)
沸点:74°C730mm Hg(lit.)
熔点:6°C(lit.)
闪点:4°F
折射率:n20/D 1.378(lit.)
水溶解性:Negligible
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
密度:0.793g/mLat 25°C(lit.)
沸点:74°C730mm Hg(lit.)
熔点:6°C(lit.)
闪点:4°F
折射率:n20/D 1.378(lit.)
水溶解性:Negligible
稳定性:Stable under normal temperatures and pressures.
储存条件:2-8ºC
安全信息
安全说明:S16-S23
WGK Germany:3
危险类别码:R11
危险品运输编码:UN 1989 3/PG 2
海关编码:2912190090
危险类别:3
包装等级:III
危险品标志:F
WGK Germany:3
危险类别码:R11
危险品运输编码:UN 1989 3/PG 2
海关编码:2912190090
危险类别:3
包装等级:III
危险品标志:F
生产方法及用途
用途
用于农药、医药、有机化工品的中间体等。
用于农药、医药、有机化工品的中间体等。
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Raman : 4880 A,200 M,liquid

Mass

IR : liquid film
