Cas no 94291-49-3 (Benzene,1-methoxy-2-(3-methylbutoxy)-)
94291-49-3 structure
Product Name:Benzene,1-methoxy-2-(3-methylbutoxy)-
CAS No:94291-49-3
MF:C12H18O2
MW:194.270123958588
CID:805942
PubChem ID:3024272
Update Time:2025-04-19
Benzene,1-methoxy-2-(3-methylbutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methoxy-2-(3-methylbutoxy)-
- 1-methoxy-2-(3-methylbutoxy)benzene
- o-(isopentyloxy)anisole
- EINECS 304-873-1
- Guaiacol, 3-methylbutyl ether
- BENZENE, 1-METHOXY-2-(3-METHYLBUTOXY)-
- 8T38VD22J7
- CHEMBL2252456
- DTXSID80241393
- NS00040370
- 1-isopentoxy-2-methoxybenzene
- 94291-49-3
- UNII-8T38VD22J7
- XKBYPOKPAZUNSO-UHFFFAOYSA-N
- SCHEMBL791645
-
- Inchi： 1S/C12H18O2/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h4-7,10H,8-9H2,1-3H3
- InChI Key： XKBYPOKPAZUNSO-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1OC)CCC(C)C
Computed Properties
- Exact Mass: 194.13100
- Monoisotopic Mass: 194.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 145
- 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: 3.3
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.953
- Boiling Point: 253.4°Cat760mmHg
- Flash Point: 85.6°C
- Refractive Index: 1.481
- PSA: 18.46000
- LogP: 3.12010
Benzene,1-methoxy-2-(3-methylbutoxy)- 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
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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