Cas no 55446-21-4 (2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate)
55446-21-4 structure
Product Name:2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate
CAS No:55446-21-4
MF:C15H28O3
MW:256.381025314331
CID:1593665
PubChem ID:108717
Update Time:2025-04-21
2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate Chemical and Physical Properties
Names and Identifiers
-
- 2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate
- cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester
- Cyclohexaneperoxycarboxylic acid 1,1,3,3-tetramethylbutyl ester
- 55446-21-4
- LFXXYNMRCVBMSC-UHFFFAOYSA-N
- Cyclohexane peroxycarboxlic acid, 1,1,3,3-tetramethyl butyl ester
- DTXSID7069023
-
- Inchi： 1S/C15H28O3/c1-14(2,3)11-15(4,5)18-17-13(16)12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
- InChI Key： LFXXYNMRCVBMSC-UHFFFAOYSA-N
- SMILES： O(C(C)(C)CC(C)(C)C)OC(C1CCCCC1)=O
Computed Properties
- Exact Mass: 256.20394
- Monoisotopic Mass: 256.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 270
- 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: 4.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.963
- Boiling Point: 306.3°C at 760 mmHg
- Flash Point: 89.8°C
- Refractive Index: 1.458
- PSA: 35.53
2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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