Cas no 233665-90-2 (Hexane,1-[1-(3-methylbutoxy)ethoxy]-)
![Hexane,1-[1-(3-methylbutoxy)ethoxy]- structure](https://ossimg.kuujia.com/scimg/234000/233665-90-2x500.png)
233665-90-2 structure
Product Name:Hexane,1-[1-(3-methylbutoxy)ethoxy]-
CAS No:233665-90-2
MF:C13H28O2
MW:216.360224723816
CID:245353
Update Time:2025-04-19
Hexane,1-[1-(3-methylbutoxy)ethoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Hexane,1-[1-(3-methylbutoxy)ethoxy]-
- LogP
- 1-[1-(3-methylbutoxy)ethoxy]hexane
-
- Inchi： 1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3
- InChI Key： PUXHYFFHRDAFHP-UHFFFAOYSA-N
- SMILES： CCCCCCOC(OCCC(C)C)C
Computed Properties
- Exact Mass: 230.2247
- Monoisotopic Mass: 216.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5A^2
Experimental Properties
- Density: 0.843
- Boiling Point: 244°Cat760mmHg
- Flash Point: 58.6°C
- Refractive Index: 1.428
- PSA: 18.46
- FEMA: 4365 | ACETALDEHYDE HEXYL ISOAMYL ACETAL
Hexane,1-[1-(3-methylbutoxy)ethoxy]- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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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
233665-90-2 (Hexane,1-[1-(3-methylbutoxy)ethoxy]-) Related Products
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