Cas no 927-18-4 (1,3-Propanediol,2-(octadecyloxy)-)
927-18-4 structure
Product Name:1,3-Propanediol,2-(octadecyloxy)-
1,3-Propanediol,2-(octadecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-(octadecyloxy)-
- 2-(octadecyloxy)-1,3-Propanediol
- 1,3-Propanediol, 2-(octadecyloxy)-
- 2-octadecylglycerol
- 927-18-4
- 2-octadecoxypropane-1,3-diol
- NS00039483
- SCHEMBL2216579
- DTXSID0061294
- Glycerine 2-monostearyl ether
-
- Inchi： 1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h21-23H,2-20H2,1H3
- InChI Key： YGDQPIRPQXPCJT-UHFFFAOYSA-N
- SMILES： O(C(CO)CO)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 344.329
- Monoisotopic Mass: 344.329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 20
- Complexity: 217
- 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
- Topological Polar Surface Area: 49.7A^2
- XLogP3: 7.6
Experimental Properties
- Density: 0.914
- Boiling Point: 465.9 °C at 760 mmHg
- Flash Point: 235.6 °C
- Refractive Index: 1.464
- PSA: 49.69000
- LogP: 5.61770
1,3-Propanediol,2-(octadecyloxy)- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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