Cas no 128631-94-7 (Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]-)
![Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]- structure](https://ossimg.kuujia.com/scimg/129000/128631-94-7x500.png)
128631-94-7 structure
Product Name:Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]-
CAS No:128631-94-7
MF:C20H26O3
MW:314.418646335602
CID:163064
PubChem ID:182924
Update Time:2025-04-19
Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]-
- 1-butan-2-yloxy-4-[(4-propan-2-yloxyphenyl)methoxy]benzene
- DTXSID00926175
- 128631-94-7
- 1-Butan-2-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene
- 1-[(Butan-2-yl)oxy]-4-({4-[(propan-2-yl)oxy]phenyl}methoxy)benzene
-
- Inchi： 1S/C20H26O3/c1-5-16(4)23-20-12-10-18(11-13-20)21-14-17-6-8-19(9-7-17)22-15(2)3/h6-13,15-16H,5,14H2,1-4H3
- InChI Key： ISRGUGUMABFBDS-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OCC1C=CC(=CC=1)OC(C)C)C(C)CC
Computed Properties
- Exact Mass: 314.18828
- Monoisotopic Mass: 314.188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 302
- 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
- XLogP3: 5.5
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- Density: 1.029
- Boiling Point: 429.7°Cat760mmHg
- Flash Point: 146.5°C
- Refractive Index: 1.526
- PSA: 27.69
Benzene,1-(1-methylethoxy)-4-[[4-(1-methylpropoxy)phenoxy]methyl]- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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