Cas no 94201-31-7 (Cyclopentanepropanol, b,2,2,4-tetramethyl-)
94201-31-7 structure
Product Name:Cyclopentanepropanol, b,2,2,4-tetramethyl-
CAS No:94201-31-7
MF:C12H24O
MW:184.318364143372
CID:808685
PubChem ID:11971332
Update Time:2025-04-19
Cyclopentanepropanol, b,2,2,4-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanepropanol, b,2,2,4-tetramethyl-
- 2-methyl-3-(2,2,4-trimethylcyclopentyl)propan-1-ol
- beta,2,2,4-tetramethylcyclopentanepropanol
- NS00066495
- DTXSID20916134
- EINECS 303-616-0
- 94201-31-7
-
- Inchi： 1S/C12H24O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h9-11,13H,5-8H2,1-4H3
- InChI Key： JDXDZOPSWDWWDU-UHFFFAOYSA-N
- SMILES： OCC(C)CC1CC(C)CC1(C)C
Computed Properties
- Exact Mass: 184.182715
- Monoisotopic Mass: 184.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 163
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 3.8
Experimental Properties
- Density: 0.854
- Boiling Point: 229.9°Cat760mmHg
- Flash Point: 97.7°C
- Refractive Index: 1.443
Cyclopentanepropanol, b,2,2,4-tetramethyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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