Cas no 42567-60-2 (Benzene,1,2,4-trimethyl-3-(1-methylethyl)-)
42567-60-2 structure
Product Name:Benzene,1,2,4-trimethyl-3-(1-methylethyl)-
CAS No:42567-60-2
MF:C12H18
MW:162.271323680878
CID:325191
Update Time:2024-01-28
Benzene,1,2,4-trimethyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,1,2,4-trimethyl-3-(1-methylethyl)-
- Benzene, 1,2,4-trimethyl-3-(1-methylethyl)- (9CI)
- Benzene, 1,2,4-trimethyl-3-(1-methylethyl)-
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- 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： C1(C)=CC=C(C)C(C(C)C)=C1C
Computed Properties
- Exact Mass: 162.141
- Monoisotopic Mass: 162.141
- 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
Experimental Properties
- Density: 0.861
- Boiling Point: 223.9°Cat760mmHg
- Flash Point: 82.8°C
- Refractive Index: 1.494
Benzene,1,2,4-trimethyl-3-(1-methylethyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
42567-60-2 (Benzene,1,2,4-trimethyl-3-(1-methylethyl)-) Related Products
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