Cas no 68695-41-0 (Phosphoric acid, bis(1,1-dimethylethyl) propyl ester)
68695-41-0 structure
Product Name:Phosphoric acid, bis(1,1-dimethylethyl) propyl ester
CAS No:68695-41-0
MF:C11H25O4P
MW:252.287564992905
CID:392702
PubChem ID:59801730
Update Time:2025-04-19
Phosphoric acid, bis(1,1-dimethylethyl) propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid, bis(1,1-dimethylethyl) propyl ester
- ditert-butyl propyl phosphate
- Di-tert-butyl propyl phosphate
- DTXSID40732999
- 68695-41-0
- SCHEMBL3815405
-
- Inchi： 1S/C11H25O4P/c1-8-9-13-16(12,14-10(2,3)4)15-11(5,6)7/h8-9H2,1-7H3
- InChI Key： JPOWGXXMYZKDHJ-UHFFFAOYSA-N
- SMILES： P(=O)(OCCC)(OC(C)(C)C)OC(C)(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: 7
- Complexity: 230
- 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: 2.4
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phosphoric acid, bis(1,1-dimethylethyl) propyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
68695-41-0 (Phosphoric acid, bis(1,1-dimethylethyl) propyl ester) Related Products
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