This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Soluble in dichloromethane, ethyl acetate and hexane
Sensitivity
Heat and Air sensitive
Flash Point(°F)
228.2 °F
Flash Point(°C)
109 °C
Boil Point(°C)
125-126°C
Melt Point(°C)
33-35°C
Molecular Weight
223.150 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
8
Exact Mass
222.062 Da
Monoisotopic Mass
222.062 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
66.600
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
References
1.Weilong Chen, Kun Wu, Bingfei Nan, Mangeng Lu. (2019) High thermal conductivity and excellent flexibility of crystalline polyesters with flexible segments in main chains. REACTIVE & FUNCTIONAL POLYMERS, [PMID:][10.1016/j.reactfunctpolym.2019.104370]
2.Ze Su, Xiaolong Li, Youye Wang, Long Liu, Yanqiang Zhang, Jianguo Zhang, Zhimin Li. (2026) Nitrate ester functionalized ionic liquid as energetic plasticizer for HTPB propellant. Defence Technology, [PMID:][10.1016/j.dt.2026.02.013]
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