Cas no 624-52-2 (1,2-Propanediol,3-butoxy-)
1,2-Propanediol,3-butoxy- structure
Product Name:1,2-Propanediol,3-butoxy-
1,2-Propanediol,3-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-butoxy-
- 3-butoxypropane-1,2-diol
- 1-monobutyl glyceryl ether
- 1-O-butyl-glycerol ether
- 3-(butyloxy)propane-1,2-diol
- 3-(n-butoxy)propane-1,2-diol
- 3-butoxy-1,2-propanediol
- 3-butyloxy-1,2-propanediol
- 3-n-butoxy-1,2-propanediol
- en_synonyms
-
- Inchi： 1S/C7H16O3/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3
- InChI Key： JCYHHICXJAGYEL-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)CCCC
Computed Properties
- Exact Mass: 148.10998
- Monoisotopic Mass: 148.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 65.9
- 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
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 1.016
- Boiling Point: 270.3°C at 760 mmHg
- Flash Point: 117.2°C
- Refractive Index: 1.45
- PSA: 49.69
1,2-Propanediol,3-butoxy- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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