Cas no 78137-46-9 (1,2,3-Hexanetriol,2-ethyl-)
1,2,3-Hexanetriol,2-ethyl- structure
Product Name:1,2,3-Hexanetriol,2-ethyl-
CAS No:78137-46-9
MF:C8H18O3
MW:162.226723194122
CID:564822
PubChem ID:3018754
Update Time:2025-04-19
1,2,3-Hexanetriol,2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Hexanetriol,2-ethyl-
- 2-Ethylhexane-1,2,3-triol
- SCHEMBL11221165
- NS00058541
- EINECS 278-848-8
- DTXSID40999383
- 78137-46-9
-
- Inchi： 1S/C8H18O3/c1-3-5-7(10)8(11,4-2)6-9/h7,9-11H,3-6H2,1-2H3
- InChI Key： REWWIIBUGWWCGY-UHFFFAOYSA-N
- SMILES： OC(CO)(CC)C(CCC)O
Computed Properties
- Exact Mass: 162.126
- Monoisotopic Mass: 162.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- Density: 1.056
- Boiling Point: 311.4°C at 760 mmHg
- Flash Point: 150.7°C
- Refractive Index: 1.48
1,2,3-Hexanetriol,2-ethyl- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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