Cas no 25462-52-6 (1,3-Propanediol,2-(1-ethylpropyl)-2-methyl-)
25462-52-6 structure
Product Name:1,3-Propanediol,2-(1-ethylpropyl)-2-methyl-
CAS No:25462-52-6
MF:C9H20O2
MW:160.253903388977
CID:284394
PubChem ID:213091
Update Time:2025-04-19
1,3-Propanediol,2-(1-ethylpropyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-(1-ethylpropyl)-2-methyl-
- 2-methyl-2-pentan-3-ylpropane-1,3-diol
- BRN 1901182
- 25462-52-6
- 2-(1-Ethylpropyl)-2-methyl-1,3-propanediol
- DTXSID70180146
- 1,3-Propanediol, 2-(1-ethylpropyl)-2-methyl-
-
- Inchi： 1S/C9H20O2/c1-4-8(5-2)9(3,6-10)7-11/h8,10-11H,4-7H2,1-3H3
- InChI Key： BJVNWGCAGZJART-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)C(CC)CC
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: 93.7
- 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: 1.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.928
- Boiling Point: 239.8°C at 760 mmHg
- Flash Point: 103.6°C
- Refractive Index: 1.454
- PSA: 40.46
1,3-Propanediol,2-(1-ethylpropyl)-2-methyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
25462-52-6 (1,3-Propanediol,2-(1-ethylpropyl)-2-methyl-) Related Products
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