Cas no 97536-12-4 (Benzenemethanol, 2-ethyl-4,6-dimethyl- (9CI))
97536-12-4 structure
Product Name:Benzenemethanol, 2-ethyl-4,6-dimethyl- (9CI)
CAS No:97536-12-4
MF:C11H16O
MW:164.244143486023
CID:1002191
PubChem ID:45117175
Update Time:2025-04-20
Benzenemethanol, 2-ethyl-4,6-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-ethyl-4,6-dimethyl- (9CI)
- (2-ethyl-4,6-dimethylphenyl)methanol
- DTXSID80668566
- SCHEMBL1225042
- Benzenemethanol,2-ethyl-4,6-dimethyl-(9ci)
- 97536-12-4
- DB-285421
- BENZENEMETHANOL, 2-ETHYL-4,6-DIMETHYL-
-
- Inchi： 1S/C11H16O/c1-4-10-6-8(2)5-9(3)11(10)7-12/h5-6,12H,4,7H2,1-3H3
- InChI Key： YWBUHVWYYLXBHY-UHFFFAOYSA-N
- SMILES： OCC1C(C)=CC(C)=CC=1CC
Computed Properties
- Exact Mass: 164.120115130g/mol
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 133
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 20.2?2
Benzenemethanol, 2-ethyl-4,6-dimethyl- (9CI) Related Literature
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1. 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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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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