Cas no 57121-82-1 (2 4-DIETHOXYTOLUENE 95)
2 4-DIETHOXYTOLUENE 95 structure
Product Name:2 4-DIETHOXYTOLUENE 95
CAS No:57121-82-1
MF:C11H16O2
MW:180.243543624878
CID:946521
PubChem ID:12266586
Update Time:2025-04-19
2 4-DIETHOXYTOLUENE 95 Chemical and Physical Properties
Names and Identifiers
-
- 2 4-DIETHOXYTOLUENE 95
- 2,4-DIETHOXY TOLUENE
- 2,4-diethoxy-1-methylbenzene
- 2,4-Diaethoxy-toluol
- 2,4-diethoxy-toluene
- 2,4-Diethoxytoluene
- SCHEMBL7692656
- DTXSID00483152
- AKOS015889017
- 57121-82-1
-
- Inchi： 1S/C11H16O2/c1-4-12-10-7-6-9(3)11(8-10)13-5-2/h6-8H,4-5H2,1-3H3
- InChI Key： UAKLAMRGOJLCEP-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=CC=1C)OCC
Computed Properties
- Exact Mass: 180.11500
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Color/Form: liquid
- Density: 0.984?g/mL?at 25?°C(lit.)
- Boiling Point: 245.7?°C760?mm Hg(lit.)
- Flash Point: 228?°F
- Refractive Index: n20/D 1.507(lit.)
- PSA: 18.46000
- LogP: 2.79240
- Solubility: Not available
2 4-DIETHOXYTOLUENE 95 Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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