Cas no 52479-94-4 (Phenol,2-cyclopentyl-4,6-dimethyl-)
52479-94-4 structure
Product Name:Phenol,2-cyclopentyl-4,6-dimethyl-
CAS No:52479-94-4
MF:C13H18O
MW:190.281424045563
CID:377312
PubChem ID:104208
Update Time:2025-04-19
Phenol,2-cyclopentyl-4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-cyclopentyl-4,6-dimethyl-
- 2-cyclopentyl-4,6-dimethylphenol
- 6-cyclopentyl-2,4-xylenol
- DTXSID80200465
- NS00032514
- SCHEMBL11700915
- EINECS 257-946-4
- 52479-94-4
-
- Inchi： 1S/C13H18O/c1-9-7-10(2)13(14)12(8-9)11-5-3-4-6-11/h7-8,11,14H,3-6H2,1-2H3
- InChI Key： VRNMLRLXNNNMIN-UHFFFAOYSA-N
- SMILES： OC1C(C)=CC(C)=CC=1C1CCCC1
Computed Properties
- Exact Mass: 190.13584
- Monoisotopic Mass: 190.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 184
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 4.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.034
- Boiling Point: 250.4°Cat760mmHg
- Flash Point: 112.4°C
- Refractive Index: 1.555
- PSA: 20.23
Phenol,2-cyclopentyl-4,6-dimethyl- Related Literature
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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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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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