Cas no 94200-99-4 (Cyclohexanepropanol, b-methyl-2-(1-methylethyl)-)
94200-99-4 structure
Product Name:Cyclohexanepropanol, b-methyl-2-(1-methylethyl)-
CAS No:94200-99-4
MF:C13H26O
MW:198.344944477081
CID:806694
PubChem ID:11971329
Update Time:2025-04-19
Cyclohexanepropanol, b-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanol, b-methyl-2-(1-methylethyl)-
- 2-(isopropyl)-beta-methylcyclohexanepropanol
- 2-methyl-3-(2-propan-2-ylcyclohexyl)propan-1-ol
- 2-Methyl-3-[2-(propan-2-yl)cyclohexyl]propan-1-ol
- EINECS 303-580-6
- 94200-99-4
- DTXSID20916154
- NS00065799
-
- Inchi： 1S/C13H26O/c1-10(2)13-7-5-4-6-12(13)8-11(3)9-14/h10-14H,4-9H2,1-3H3
- InChI Key： FJLMKTWTPFOFCT-UHFFFAOYSA-N
- SMILES： OCC(C)CC1CCCCC1C(C)C
Computed Properties
- Exact Mass: 198.198365
- Monoisotopic Mass: 198.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.5
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.873
- Boiling Point: 262.1°Cat760mmHg
- Flash Point: 116.4°C
- Refractive Index: 1.455
Cyclohexanepropanol, b-methyl-2-(1-methylethyl)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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