三甲基乙醛 | 630-19-3
三甲基乙醛
Trimethylacetaldehyde
630-19-3
C5H10O
86.1323
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:三甲基乙醛结构式
名称和标识符
MDL |
MFCD00006962 |
InChIKey |
FJJYHTVHBVXEEQ-UHFFFAOYSA-N |
Inchi |
1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3 |
SMILES |
CC(C)(C)C=O |
BRN |
506060 |
别名信息
- 中文别名 -
- 三甲基乙醛
- 特戊醛
- 2,2-二甲基丙醛
- 新戊醛
- 三甲基丙醛
- Pivalaldehyde 新戊醛
- 特戊醛(三甲基乙醛)
- 三甲基乙醛,特戊醛
- 有机化工品
- 英文别名 -
- Trimethylacetaldehyde
- 2,2-Dimethyl-1-propanal
- 2,2-Dimethylpropanal
- Pivalaldehyde
- Pivaldehyde
- Especially amyl aldehyde
- 2,2-Dimethylpropionaldehyde
- trirnethylacetaldehyde
- tert-C4H9CHO
- PIVALALDEHYDE
- P0847
- Q2097441
- tert-Valeraldehyde
- 630-19-3
- F2191-0164
- Pvalaldehyde
- alpha,alpha-Dimethylpropanal
- UNII-SSC20260QW
- NSC22043
- STR05593
- NEOPENTALDEHYDE
- Pivalic aldehyde
- D78124
- NSC-22043
- pivalaldeyde
- PIVALALDEHYDE [MI]
- InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H
- tert-pentanal
- J-523980
- A834155
- trimethyl-acetaldehyde
- Propanal, 2,2-dimethyl-
- MFCD00006962
- trimethylacetoaldehyde
- NSC 22043
- AI3-33229
- 2,2-dimethyl-propionaldehyde
- CHEBI:141557
- NS00035256
- AKOS009143619
- EN300-53815
- TRIETHYLACETALDEHYDE
- Trimethylacetaldehyde, 96%
- .alpha.,.alpha.-Dimethylpropanal
- Trimethylacetaldehyde (Pivaldehyde)
- alpha,alpha-Dimethylpropionaldehyde
- BCP24105
- AMY14201
- SSC20260QW
- .alpha.,.alpha.-Dimethylpropionaldehyde
- Trimethyl acetaldehyde
- EINECS 211-134-6
- DTXSID2060888
- Neopentanal
物化性质
实验特性
LogP |
1.23140 |
PSA |
17.07000 |
折射率 |
n20/D 1.378(lit.) |
水溶性 |
可忽略 |
沸点 |
75°C |
熔点 |
6 °C (lit.) |
闪点 |
华氏:3.2 °F 摄氏:-16 °C
|
颜色与性状 |
白色液体。 |
溶解性 |
不溶于水。 |
敏感性 |
Air Sensitive |
密度 |
0.793 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
86.07320 |
氢键供体数量 |
0 |
氢键受体数量 |
1 |
可旋转化学键数量 |
1 |
同位素质量 |
86.073 |
重原子数量 |
6 |
复杂度 |
49.4 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.1 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
17.1A^2 |
海关数据
海关编码 |
2912190090 |
海关数据 |
中国海关编码:
2912190090
概述:
HS: 2912190090. 其他无环醛(不含其他含氧基). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 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, 四聚甲醛报明外观
Summary:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
|
相关文献
-
1.
Reactions of acrolein, crotonaldehyde and pivalaldehyde with Cl atoms: structure–activity relationship and comparison with OH and NO3 reactions
Maria Ullerstam,Evert Ljungstr?m,Sarka Langer Phys. Chem. Chem. Phys. 2001 3 986
-
2.
Vibrational spectra of 2,2-dimethylpropanal
Gene A. Crowder J. Chem. Soc. Perkin Trans. 2 1973 1241
-
3.
Vibrational spectra of 2,2-dimethylpropanal
Gene A. Crowder J. Chem. Soc. Perkin Trans. 2 1973 1241
-
4.
Time-resolved measurements of product formation in the low-temperature (550–675 K) oxidation of neopentane: a probe to investigate chain-branching mechanism
Arkke J. Eskola,Ivan O. Antonov,Leonid Sheps,John D. Savee,David L. Osborn,Craig A. Taatjes Phys. Chem. Chem. Phys. 2017 19 13731
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5.
Catalytic C–H alkynylation of benzylamines and aldehydes with aldimine-directing groups generated in situ
Jiao Zhou,Tenggang Jiao,Qiang Fu,Jun Wang,Ji Lu,Lin Yang,Jun Wei,Siping Wei,Xuefeng Cong,Na Hao Chem. Commun. 2023 59 6355
-
6.
Catalytic C–H alkynylation of benzylamines and aldehydes with aldimine-directing groups generated in situ
Jiao Zhou,Tenggang Jiao,Qiang Fu,Jun Wang,Ji Lu,Lin Yang,Jun Wei,Siping Wei,Xuefeng Cong,Na Hao Chem. Commun. 2023 59 6355
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7.
A simple oxime–nitrone isomerisation and intramolecular nitrone-cycloaddition reaction of 3-(alk-2-enylamino)propionaldehyde oximes
Michihiko Noguchi,Hirofumi Okada,Shigeki Nishimura,Yoko Yamagata,Shinji Takamura,Masayuki Tanaka,Akikazu Kakehi,Hidetoshi Yamamoto J. Chem. Soc. Perkin Trans. 1 1999 185
-
8.
Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction
Benjamin M. Day,William Knowelden,Martyn P. Coles Dalton Trans. 2012 41 10930
-
9.
Aldehyde detection by chromogenic/fluorogenic oxime bond fragmentation
Syed Salahuddin,Olivier Renaudet,Jean-Louis Reymond Org. Biomol. Chem. 2004 2 1471
-
10.
Selective oxidation of tetralin over a chromium terephthalate metal organic framework, MIL-101
Jun Kim,Samiran Bhattacharjee,Kwang-Eun Jeong,Soon-Yong Jeong,Wha-Seung Ahn Chem. Commun. 2009 3904
参考资料
Reaxys RN |
506060 |
Beilstein |
1(4)3295 |
三甲基乙醛推荐生产厂家
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特戊醛
手机:18662919202
电话:0513-66017708
联系人:杨经理
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特戊醛
手机:13212748921
电话:027-59768650
联系人:周美玲
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特戊醛
手机:18064098002
电话:027-59223108
联系人:孙瑶
QQ:1248580055
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