Cas no 61248-62-2 (Benzene, 1,3,5-trimethyl-2-(1-methylpropoxy)-)
61248-62-2 structure
Product Name:Benzene, 1,3,5-trimethyl-2-(1-methylpropoxy)-
CAS No:61248-62-2
MF:C13H20O
MW:192.297304153442
CID:487182
PubChem ID:71397820
Update Time:2025-04-19
Benzene, 1,3,5-trimethyl-2-(1-methylpropoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1,3,5-trimethyl-2-(1-methylpropoxy)-
- 2-butan-2-yloxy-1,3,5-trimethylbenzene
- 2-[(Butan-2-yl)oxy]-1,3,5-trimethylbenzene
- DTXSID30819283
- 61248-62-2
-
- Inchi: 1S/C13H20O/c1-6-12(5)14-13-10(3)7-9(2)8-11(13)4/h7-8,12H,6H2,1-5H3
- InChI Key: FSOURZRITAHGCK-UHFFFAOYSA-N
- SMILES: O(C1C(C)=CC(C)=CC=1C)C(C)CC
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 155
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,3,5-trimethyl-2-(1-methylpropoxy)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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