Cas no 122961-18-6 (Phenol, 4-(1,3-dimethylheptyl)-)
122961-18-6 structure
Product Name:Phenol, 4-(1,3-dimethylheptyl)-
CAS No:122961-18-6
MF:C15H24O
MW:220.350464820862
CID:1217542
PubChem ID:14266887
Update Time:2025-04-20
Phenol, 4-(1,3-dimethylheptyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(1,3-dimethylheptyl)-
- 4-(4-methyloctan-2-yl)phenol
- 122961-18-6
- Phenol, 4-(1,3-dimethylheptyl)
- DTXSID30558180
-
- Inchi： 1S/C15H24O/c1-4-5-6-12(2)11-13(3)14-7-9-15(16)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3
- InChI Key： JQAZDEHCPWOMQE-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)CC(C)CCCC
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 4-(1,3-dimethylheptyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
122961-18-6 (Phenol, 4-(1,3-dimethylheptyl)-) Related Products
- 1131-60-8(4-Cyclohexylphenol)
- 75520-41-1(Acetyl Coenzyme A Trilithium Salt)
- 84-16-2(Hexestrol)
- 29799-07-3(4-(1-Adamantyl)phenol)
- 81936-33-6(4-(trans-4-Propylcyclohexyl)phenol)
- 80-46-6(4-Tert-Amylphenol)
- 77-40-7(Bisphenol B)
- 99-71-8(4-(butan-2-yl)phenol)
- 140-66-9(4-Tert-Octylphenol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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