Cas no 25450-88-8 (1,3-Propanediol,2-ethyl-2-propyl-)
25450-88-8 structure
Product Name:1,3-Propanediol,2-ethyl-2-propyl-
CAS No:25450-88-8
MF:C8H18O2
MW:146.227323055267
CID:269904
PubChem ID:117489
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-propyl-
- 2-ethyl-2-propylpropane-1,3-diol
- 25450-88-8
- SCHEMBL245331
- 1,3-Propanediol, 2-ethyl-2-propyl-
- DTXSID80180112
- BRN 1847379
- AKOS018004463
- 2-Ethyl-2-propyl-1,3-propanediol
-
- Inchi： 1S/C8H18O2/c1-3-5-8(4-2,6-9)7-10/h9-10H,3-7H2,1-2H3
- InChI Key： QPIAAQDLOJNQMP-UHFFFAOYSA-N
- SMILES： OCC(CO)(CC)CCC
Computed Properties
- Exact Mass: 146.13074
- Monoisotopic Mass: 146.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 77.3
- 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: 1.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.939
- Boiling Point: 237.2°Cat760mmHg
- Flash Point: 105.3°C
- Refractive Index: 1.453
- PSA: 40.46
1,3-Propanediol,2-ethyl-2-propyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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