Cas no 25462-42-4 (1,3-Propanediol,2-methyl-2-(2-methylpropyl)-)
25462-42-4 structure
Product Name:1,3-Propanediol,2-methyl-2-(2-methylpropyl)-
CAS No:25462-42-4
MF:C8H18O2
MW:146.227323055267
CID:279456
PubChem ID:117511
Update Time:2025-04-19
1,3-Propanediol,2-methyl-2-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-methyl-2-(2-methylpropyl)-
- 2-methyl-2-(2-methylpropyl)propane-1,3-diol
- 2-Isobutyl-2-methylpropane-1,3-diol
- 1,3-Propanediol, 2-isobutyl-2-methyl-
- BRN 1847385
- DTXSID70180141
- AKOS018005550
- SCHEMBL1614967
- 2-Isobutyl-2-methyl-1,3-propanediol
- 25462-42-4
-
- Inchi： 1S/C8H18O2/c1-7(2)4-8(3,5-9)6-10/h7,9-10H,4-6H2,1-3H3
- InChI Key： REQVMPVOKUHDOZ-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)CC(C)C
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: 4
- Complexity: 85.3
- 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: 1.2
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.937
- Boiling Point: 227.9°Cat760mmHg
- Flash Point: 99.2°C
- Refractive Index: 1.452
- PSA: 40.46
1,3-Propanediol,2-methyl-2-(2-methylpropyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
25462-42-4 (1,3-Propanediol,2-methyl-2-(2-methylpropyl)-) Related Products
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- 10547-96-3(2,2-Dihydroxy-2,2-diisobutylpropane)
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