Cas no 521957-14-2 (Benzoic acid, 4-(1,1-dimethylethyl)-3-ethoxy-)
521957-14-2 structure
Product Name:Benzoic acid, 4-(1,1-dimethylethyl)-3-ethoxy-
CAS No:521957-14-2
MF:C13H18O3
MW:222.280224323273
CID:1576124
Update Time:2024-08-24
Benzoic acid, 4-(1,1-dimethylethyl)-3-ethoxy- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(1,1-dimethylethyl)-3-ethoxy-
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- Inchi： 1S/C13H18O3/c1-5-16-11-8-9(12(14)15)6-7-10(11)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
- InChI Key： PIVLWTMLEJJTQM-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(C(C)(C)C)C(OCC)=C1
Computed Properties
- Exact Mass: 222.12564
Experimental Properties
- Density: 1.062±0.06 g/cm3(Predicted)
- Boiling Point: 348.9±35.0 °C(Predicted)
- PSA: 46.53
- pka: 4.30±0.10(Predicted)
Benzoic acid, 4-(1,1-dimethylethyl)-3-ethoxy- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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