Cas no 646450-42-2 (Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester)
646450-42-2 structure
Product Name:Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester
CAS No:646450-42-2
MF:C11H25O4P
MW:252.287564992905
CID:420885
PubChem ID:71379380
Update Time:2025-04-19
Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester
- bis(2-methylpropyl) propan-2-yl phosphate
- DTXSID40801952
- SCHEMBL3815403
- 646450-42-2
-
- Inchi： 1S/C11H25O4P/c1-9(2)7-13-16(12,15-11(5)6)14-8-10(3)4/h9-11H,7-8H2,1-6H3
- InChI Key： OUMYXPGHWVLMHN-UHFFFAOYSA-N
- SMILES： P(=O)(OC(C)C)(OCC(C)C)OCC(C)C
Computed Properties
- Exact Mass: 252.14915
- Monoisotopic Mass: 252.14904627g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 210
- 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: 3
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
646450-42-2 (Phosphoric acid, 1-methylethyl bis(2-methylpropyl) ester) Related Products
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