Cas no 25462-49-1 (1,3-Propanediol,2-methyl-2-(1-methylbutyl)-)
25462-49-1 structure
Product Name:1,3-Propanediol,2-methyl-2-(1-methylbutyl)-
CAS No:25462-49-1
MF:C9H20O2
MW:160.253903388977
CID:262111
PubChem ID:117249
Update Time:2025-04-19
1,3-Propanediol,2-methyl-2-(1-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-methyl-2-(1-methylbutyl)-
- 2-Methyl-2-(pentan-2-yl)propane-1,3-diol
- 1,3-Propanediol, 2-methyl-2-(1-methylbutyl)-
- 2-Methyl-2-(1-methylbutyl)-1,3-propanediol
- BRN 1847811
- 25462-49-1
- DTXSID40948356
-
- Inchi： 1S/C9H20O2/c1-4-5-8(2)9(3,6-10)7-11/h8,10-11H,4-7H2,1-3H3
- InChI Key： QGBQYMQTQNOOHP-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)C(C)CCC
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 97.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.928
- Boiling Point: 241.1°Cat760mmHg
- Flash Point: 104.5°C
- Refractive Index: 1.454
- PSA: 40.46
1,3-Propanediol,2-methyl-2-(1-methylbutyl)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
25462-49-1 (1,3-Propanediol,2-methyl-2-(1-methylbutyl)-) Related Products
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