Cas no 56548-45-9 (3,5-Octanediol, 3,7-dimethyl-)
3,5-Octanediol, 3,7-dimethyl- structure
Product Name:3,5-Octanediol, 3,7-dimethyl-
CAS No:56548-45-9
MF:C10H22O2
MW:174.280483722687
CID:348531
PubChem ID:14178926
Update Time:2025-04-19
3,5-Octanediol, 3,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Octanediol, 3,7-dimethyl-
- 3,7-dimethyloctane-3,5-diol
- LogP
- 56548-45-9
- 3,7-dimethyl-3,5-octanediol
- DTXSID70557071
-
- Inchi： 1S/C10H22O2/c1-5-10(4,12)7-9(11)6-8(2)3/h8-9,11-12H,5-7H2,1-4H3
- InChI Key： CPHYGNMPAFEQLM-UHFFFAOYSA-N
- SMILES： OC(C)(CC)CC(CC(C)C)O
Computed Properties
- Exact Mass: 174.16206
- Monoisotopic Mass: 174.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 123
- 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: 0.92
- Boiling Point: 248.904°C at 760 mmHg
- Flash Point: 106.181°C
- Refractive Index: 1.454
- PSA: 40.46
3,5-Octanediol, 3,7-dimethyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
56548-45-9 (3,5-Octanediol, 3,7-dimethyl-) Related Products
- 110-03-2(2,5-Dimethyl-2,5-hexanediol)
- 5001-18-3(1,3-Adamantanediol)
- 625-06-9(2,4-Dimethyl-2-pentanol)
- 107-41-5(Hexylene glycol)
- 78-69-3(3,7-dimethyloctan-3-ol)
- 597-96-6(3-Methyl-3-hexanol)
- 3761-94-2(1-Methylcycloheptanol)
- 13254-34-7(2,\u200b6-\u200bDimethyl-2-\u200bheptanol)
- 78-65-9(3,6-Dimethyl-3,6-octanediol)
- 1573-28-0(3,6-Dimethyl-3-heptanol)
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