Cas no 5411-89-2 (2-methyloctane-1,3-diol)
2-methyloctane-1,3-diol structure
Product Name:2-methyloctane-1,3-diol
CAS No:5411-89-2
MF:C9H20O2
MW:160.253903388977
CID:2627190
PubChem ID:220975
Update Time:2025-04-21
2-methyloctane-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-methyloctane-1,3-diol
- 2-METHYLHEXAHYDRO-PYRAZINO[1,2-C]PYRIMIDIN-6(2H)-ONE; ACMC-20n6ar; AG-D-98820; 6H-Pyrazino[1,2-c]pyrimidin-6-one,octahydro-2-methyl-; 8-Methyl-1,3,8-triazabicyclo[4.4.0]decan-2-one; 2-methyl-octahydro-6H-pyrazino< 1,2-c> pyrimidin-6-one; AGN-PC-003YK8; 6H-Pyrazino[1,2-c]pyrimidin-6-one, octahydro-2-methyl-; CTK4C7187; 2-methyloctane-1,3-diol; MB69116;
- NSC4553
- SCHEMBL9227777
- NSC-4553
- 5411-89-2
- DTXSID40969006
-
- Inchi： 1S/C9H20O2/c1-3-4-5-6-9(11)8(2)7-10/h8-11H,3-7H2,1-2H3
- InChI Key： WOOGQXANFLDMBB-UHFFFAOYSA-N
- SMILES： OC(CCCCC)C(C)CO
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 83.6
- 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: 2.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.927
- Boiling Point: 257.1°C at 760 mmHg
- Flash Point: 135°C
- Refractive Index: 1.453
- PSA: 40.46
- LogP: 1.55600
2-methyloctane-1,3-diol Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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