Cas no 68856-26-8 (5-tert-butoxy-m-xylene)
5-tert-butoxy-m-xylene structure
Product Name:5-tert-butoxy-m-xylene
CAS No:68856-26-8
MF:C12H18O
MW:178.270723819733
CID:972312
PubChem ID:111660
Update Time:2025-04-19
5-tert-butoxy-m-xylene Chemical and Physical Properties
Names and Identifiers
-
- 5-tert-butoxy-m-xylene
- 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene
- Benzene, 1-(1,1-dimethylethoxy)-3,5-dimethyl-
- tert-butyl 3,5-dimethylphenyl ether
- DTXSID7071787
- EINECS 272-506-1
- NS00036728
- 68856-26-8
- UNII-7GL6TZ3WGL
- 1-(TERT-BUTOXY)-3,5-DIMETHYLBENZENE
- SY298866
- 1-(1,1-DIMETHYLETHOXY)-3,5-DIMETHYLBENZENE
- 7GL6TZ3WGL
- SCHEMBL12285755
- MFCD29103409
- FOMVFPYJDBUIFD-UHFFFAOYSA-N
-
- Inchi： 1S/C12H18O/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8H,1-5H3
- InChI Key： FOMVFPYJDBUIFD-UHFFFAOYSA-N
- SMILES： O(C1C=C(C)C=C(C)C=1)C(C)(C)C
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
5-tert-butoxy-m-xylene Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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