Cas no 137628-42-3 (Benzenemethanol, a-butyl-a-ethyl-, (R)-)
137628-42-3 structure
Product Name:Benzenemethanol, a-butyl-a-ethyl-, (R)-
CAS No:137628-42-3
MF:C13H20O
MW:192.297304153442
CID:1245551
Update Time:2024-08-04
Benzenemethanol, a-butyl-a-ethyl-, (R)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanol, a-butyl-a-ethyl-, (R)-
- Benzenemethanol, α-butyl-α-ethyl-, (αR)-
-
- Inchi： 1S/C13H20O/c1-3-5-11-13(14,4-2)12-9-7-6-8-10-12/h6-10,14H,3-5,11H2,1-2H3/t13-/m1/s1
- InChI Key： DOEISVYWMMTHCD-CYBMUJFWSA-N
- SMILES： C1([C@](CCCC)(CC)O)=CC=CC=C1
Computed Properties
- Exact Mass: 192.1515
Experimental Properties
- Density: 0.946±0.06 g/cm3(Predicted)
- Boiling Point: 252.1±8.0 °C(Predicted)
- PSA: 20.23
- pka: 14.49±0.29(Predicted)
Benzenemethanol, a-butyl-a-ethyl-, (R)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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