Cas no 70747-05-6 (1-(3-tert-butylphenyl)ethanol)
1-(3-tert-butylphenyl)ethanol structure
Product Name:1-(3-tert-butylphenyl)ethanol
CAS No:70747-05-6
MF:C12H18O
MW:178.270723819733
CID:1745961
PubChem ID:116864
Update Time:2025-04-21
1-(3-tert-butylphenyl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-tert-butylphenyl)ethanol
- AKOS006325596
- 1-(3-(tert-Butyl)phenyl)ethan-1-ol
- 1-(3-(Tert-butyl)phenyl)ethanol
- Benzenemethanol, ar-(1,1-dimethylethyl)-.alpha.-methyl-
- Benzenemethanol, ar-(1,1-dimethylethyl)-alpha-methyl-
- DTXSID60990998
- UDXRTHQGKTWJQI-UHFFFAOYSA-N
- 70747-05-6
- SCHEMBL475370
- 1-(3-tert-Butylphenyl)ethan-1-ol
- 71522-57-1
-
- Inchi： 1S/C12H18O/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-9,13H,1-4H3
- InChI Key： UDXRTHQGKTWJQI-UHFFFAOYSA-N
- SMILES： OC(C)C1=CC=CC(=C1)C(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: 2
- Complexity: 157
- 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
1-(3-tert-butylphenyl)ethanol Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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