Cas no 5469-00-1 (Benzene,1-(diethoxymethyl)-2-methyl-)
5469-00-1 structure
Product Name:Benzene,1-(diethoxymethyl)-2-methyl-
CAS No:5469-00-1
MF:C12H18O2
MW:194.270123958588
CID:384888
PubChem ID:221907
Update Time:2025-04-19
Benzene,1-(diethoxymethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(diethoxymethyl)-2-methyl-
- 1-(diethoxymethyl)-2-methylbenzene
- NSC-15699
- 5469-00-1
- 1-Diethoxymethyl-2-methylbenzene
- NSC-7019
- DTXSID40278327
- SCHEMBL898540
- AKOS006317828
- NSC7019
- NSC15699
-
- Inchi： 1S/C12H18O2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h6-9,12H,4-5H2,1-3H3
- InChI Key： WARCDZGSKKKAMZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=CC=1C)OCC
Computed Properties
- Exact Mass: 194.13074
- 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: 141
- 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: 2.7
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.964
- Boiling Point: 237.6°Cat760mmHg
- Flash Point: 75.2°C
- Refractive Index: 1.487
- PSA: 18.46
Benzene,1-(diethoxymethyl)-2-methyl- Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
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
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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