Cas no 90162-24-6 (2,4-Octanediol)
2,4-Octanediol structure
Product Name:2,4-Octanediol
CAS No:90162-24-6
MF:C8H18O2
MW:146.227323055267
CID:792883
PubChem ID:3494075
Update Time:2025-04-19
2,4-Octanediol Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Octanediol
- octane-2,4-diol
- SCHEMBL428260
- 90162-24-6
- DTXSID40393009
-
- Inchi： 1S/C8H18O2/c1-3-4-5-8(10)6-7(2)9/h7-10H,3-6H2,1-2H3
- InChI Key： HOWLAKMIIWUJEJ-UHFFFAOYSA-N
- SMILES： OC(CC(C)O)CCCC
Computed Properties
- Exact Mass: 146.130679813g/mol
- Monoisotopic Mass: 146.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 73.7
- 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: 1.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.9180
- Melting Point: 43.76°C (estimate)
- Boiling Point: 243.79°C (rough estimate)
- Refractive Index: 1.4422
2,4-Octanediol Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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