Cas no 4397-09-5 (Benzenemethanol, a-ethyl-a-(1-methylethyl)-)
4397-09-5 structure
Product Name:Benzenemethanol, a-ethyl-a-(1-methylethyl)-
Benzenemethanol, a-ethyl-a-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanol, a-ethyl-a-(1-methylethyl)-
- (+-)-3-hydroxy-2-methyl-3-phenyl-pentane; CTK4I7904; 2-methyl-3-phenyl-3-pentanol; SureCN12238644; 11-Oxy-1-(12-metho-11-aetho-propyl)-benzol; NCIOpen2_001725; AC1Q76W1; AC1L68YL; Aethyl-isopropyl-phenyl-carbinol; (+-)-3-Hydroxy-2-methyl-3-phenyl-pentan; 2-methyl-3-phenyl-pentan-3-ol; NSC97441; 3-Hydroxy-3-phenyl-2-methyl-pentan;
- A826512
- NSC97441
- DTXSID90294618
- 2-methyl-3-phenyl-pentan-3-ol;4-Hydroxy-3-methoxybenzonitrile
- 2-methyl-3-phenylpentan-3-ol
- NCIOpen2_001725
- NSC-97441
- Aethylisopropylphenylcarbinol
- 4397-09-5
- 2-methyl-3-phenyl-3-pentanol
- SCHEMBL12238644
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- Inchi： 1S/C12H18O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3
- InChI Key： OXHYBLKMOOPCOD-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)(CC)C(C)C
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
- LogP: 2.94020
Benzenemethanol, a-ethyl-a-(1-methylethyl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
4397-09-5 (Benzenemethanol, a-ethyl-a-(1-methylethyl)-) Related Products
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- 1565-75-9(2-phenylbutan-2-ol)
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- 73177-67-0(2-Methyl-1-phenyl-1-pentanol)
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