Cas no 98072-12-9 (1-Butanol,2-(2-hydroxybutoxy)-)
98072-12-9 structure
Product Name:1-Butanol,2-(2-hydroxybutoxy)-
CAS No:98072-12-9
MF:C8H18O3
MW:162.226723194122
CID:810250
PubChem ID:113427
Update Time:2025-04-19
1-Butanol,2-(2-hydroxybutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol,2-(2-hydroxybutoxy)-
- 2-(2-hydroxybutoxy)butan-1-ol
- NS00065754
- DTXSID50913474
- SCHEMBL6440268
- EINECS 308-461-2
- 98072-12-9
-
- Inchi： 1S/C8H18O3/c1-3-7(10)6-11-8(4-2)5-9/h7-10H,3-6H2,1-2H3
- InChI Key： MVEWAQOGSDLLAT-UHFFFAOYSA-N
- SMILES： O(CC(CC)O)C(CO)CC
Computed Properties
- Exact Mass: 162.126
- Monoisotopic Mass: 162.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 85.4
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.6
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 0.997
- Boiling Point: 268.1°Cat760mmHg
- Flash Point: 115.9°C
- Refractive Index: 1.451
1-Butanol,2-(2-hydroxybutoxy)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
98072-12-9 (1-Butanol,2-(2-hydroxybutoxy)-) Related Products
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