Cas no 139265-62-6 (Pentanoic acid, 2-(2,4-dimethylphenoxy)-)
139265-62-6 structure
Product Name:Pentanoic acid, 2-(2,4-dimethylphenoxy)-
CAS No:139265-62-6
MF:C13H18O3
MW:222.280224323273
CID:1264618
Update Time:2024-08-03
Pentanoic acid, 2-(2,4-dimethylphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid, 2-(2,4-dimethylphenoxy)-
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- Inchi： 1S/C13H18O3/c1-4-5-12(13(14)15)16-11-7-6-9(2)8-10(11)3/h6-8,12H,4-5H2,1-3H3,(H,14,15)
- InChI Key： OWSBEUDJGMZDSJ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(OC1=CC=C(C)C=C1C)CCC
Computed Properties
- Exact Mass: 222.12564
Experimental Properties
- Density: 1.073±0.06 g/cm3(Predicted)
- Boiling Point: 343.1±27.0 °C(Predicted)
- PSA: 46.53
- pka: 3.32±0.10(Predicted)
Pentanoic acid, 2-(2,4-dimethylphenoxy)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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