Cas no 33991-29-6 (Benzene,1,2,4-trimethyl(1-methylethyl)-)
33991-29-6 structure
Product Name:Benzene,1,2,4-trimethyl(1-methylethyl)-
Benzene,1,2,4-trimethyl(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,4-trimethyl(1-methylethyl)-
- 1,2,4-trimethyl-3-propan-2-ylbenzene
- 1,2,4-trimethyl-3-(propan-2-yl)benzene
- Trimethylcumene
- 33991-29-6
- NS00029590
- DTXSID90187596
- EINECS 251-776-4
-
- Inchi： 1S/C12H18/c1-8(2)12-10(4)7-6-9(3)11(12)5/h6-8H,1-5H3
- InChI Key： CKLMZXZZNILPFR-UHFFFAOYSA-N
- SMILES： C(C)(C)C1C(C)=CC=C(C)C=1C
Computed Properties
- Exact Mass: 162.14094
- Monoisotopic Mass: 162.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene,1,2,4-trimethyl(1-methylethyl)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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