Cas no 5405-55-0 (2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]-)
![2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]- structure](https://ossimg.kuujia.com/scimg/5500/5405-55-0x500.png)
5405-55-0 structure
Product Name:2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]-
CAS No:5405-55-0
MF:C13H28O4
MW:248.359025001526
CID:384359
PubChem ID:221157
Update Time:2025-04-19
2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]-
- 1-[1-(2-butoxypropoxy)propan-2-yloxy]propan-2-ol
- 1-{[1-(2-butoxypropoxy)propan-2-yl]oxy}propan-2-ol
- AC1L59UT
- AC1Q58HT
- CTK4J9417
- KST-1B6252
- NSC5184
- NSC-5184
- 5405-55-0
- DTXSID50277947
-
- Inchi： 1S/C13H28O4/c1-5-6-7-16-12(3)9-15-10-13(4)17-8-11(2)14/h11-14H,5-10H2,1-4H3
- InChI Key： LMDORHNSEVUFHU-UHFFFAOYSA-N
- SMILES： O(CC(C)OCC(C)O)CC(C)OCCCC
Computed Properties
- Exact Mass: 248.19884
- Monoisotopic Mass: 248.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 47.9?2
Experimental Properties
- Density: 0.952±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (25 g/l) (25 o C),
- PSA: 47.92
2-Propanol,1-[2-(2-butoxypropoxy)-1-methylethoxy]- Related Literature
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Danlei Xiang Nanoscale, 2021,13, 5497-5506
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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