Cas no 25480-64-2 (1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-)
25480-64-2 structure
Product Name:1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-
CAS No:25480-64-2
MF:C10H22O2
MW:174.280483722687
CID:258571
PubChem ID:213095
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-
- 2-ethyl-2-pentan-3-ylpropane-1,3-diol
- 2-Ethyl-2-(1-ethylpropyl)-1,3-propanediol
- DTXSID50180164
- 25480-64-2
- BRN 1901429
- 1,3-Propanediol, 2-ethyl-2-(1-ethylpropyl)-
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- Inchi： 1S/C10H22O2/c1-4-9(5-2)10(6-3,7-11)8-12/h9,11-12H,4-8H2,1-3H3
- InChI Key： QANQJIAMKLIZMJ-UHFFFAOYSA-N
- SMILES： OCC(CO)(CC)C(CC)CC
Computed Properties
- Exact Mass: 174.16206
- Monoisotopic Mass: 174.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 104
- 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: 2.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.921
- Boiling Point: 250.5°C at 760 mmHg
- Flash Point: 107.2°C
- Refractive Index: 1.455
- PSA: 40.46
1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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