Cas no 25450-93-5 (1,3-Propanediol,2-ethyl-2-pentyl-)
25450-93-5 structure
Product Name:1,3-Propanediol,2-ethyl-2-pentyl-
CAS No:25450-93-5
MF:C10H22O2
MW:174.280483722687
CID:286135
PubChem ID:212991
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-pentyl-
- 2-ethyl-2-pentylpropane-1,3-diol
- 25450-93-5
- 2-Ethyl-2-pentyl-1,3-propanediol
- DTXSID00180114
- SCHEMBL11445052
- AKOS018004846
- BRN 1848188
- 1,3-Propanediol, 2-ethyl-2-pentyl-
-
- Inchi： 1S/C10H22O2/c1-3-5-6-7-10(4-2,8-11)9-12/h11-12H,3-9H2,1-2H3
- InChI Key： FKXLOGLAYTUOFK-UHFFFAOYSA-N
- SMILES： OCC(CO)(CC)CCCCC
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: 7
- Complexity: 98
- 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: 40.5?2
Experimental Properties
- Density: 0.923
- Boiling Point: 263.4°C at 760 mmHg
- Flash Point: 115.4°C
- Refractive Index: 1.457
- PSA: 40.46
1,3-Propanediol,2-ethyl-2-pentyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
25450-93-5 (1,3-Propanediol,2-ethyl-2-pentyl-) Related Products
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