Cas no 52065-71-1 (Benzeneethanol, a,a-bis(1-methylethyl)-)
52065-71-1 structure
Product Name:Benzeneethanol, a,a-bis(1-methylethyl)-
CAS No:52065-71-1
MF:C14H22O
MW:206.323884487152
CID:371196
PubChem ID:104069
Update Time:2025-04-19
Benzeneethanol, a,a-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a,a-bis(1-methylethyl)-
- 3-benzyl-2,4-dimethylpentan-3-ol
- alpha,alpha-diisopropylphenethyl alcohol
- EINECS 257-633-2
- 52065-71-1
- DTXSID80200041
- NS00032416
-
- Inchi： 1S/C14H22O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3
- InChI Key： SCUFFASZSQKIIG-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC=CC=1)(C(C)C)C(C)C
Computed Properties
- Exact Mass: 206.167
- Monoisotopic Mass: 206.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 170
- 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: nothing
- XLogP3: 4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.939
- Boiling Point: 213.6°Cat760mmHg
- Flash Point: 86.6°C
- Refractive Index: 1.503
Benzeneethanol, a,a-bis(1-methylethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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