Cas no 42910-64-5 (2-Propanol,1-(1,1-dimethylethoxy)-3-ethoxy-)
42910-64-5 structure
Product Name:2-Propanol,1-(1,1-dimethylethoxy)-3-ethoxy-
CAS No:42910-64-5
MF:C9H20O3
MW:176.253303527832
CID:333468
PubChem ID:142635
Update Time:2025-04-19
2-Propanol,1-(1,1-dimethylethoxy)-3-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol,1-(1,1-dimethylethoxy)-3-ethoxy-
- 1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
- 1-Tert-butoxy-3-ethoxy-2-propanol
- 1-tert-Butoxy-3-ethoxypropan-2-ol
- 42910-64-5
- DTXSID60962791
-
- Inchi： 1S/C9H20O3/c1-5-11-6-8(10)7-12-9(2,3)4/h8,10H,5-7H2,1-4H3
- InChI Key： MRRMNHYRTIBHOF-UHFFFAOYSA-N
- SMILES： O(CC(COCC)O)C(C)(C)C
Computed Properties
- Exact Mass: 176.1413
- Monoisotopic Mass: 176.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 107
- 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: 0.7
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 0.938
- Boiling Point: 237°C at 760 mmHg
- Flash Point: 97.1°C
- Refractive Index: 1.431
- PSA: 38.69
2-Propanol,1-(1,1-dimethylethoxy)-3-ethoxy- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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