Cas no 92371-45-4 (1,2-Cyclohexanediaceticacid, 1,2-diethyl ester)
92371-45-4 structure
Product Name:1,2-Cyclohexanediaceticacid, 1,2-diethyl ester
CAS No:92371-45-4
MF:C14H24O4
MW:256.337965011597
CID:816859
PubChem ID:284207
Update Time:2025-04-19
1,2-Cyclohexanediaceticacid, 1,2-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanediaceticacid, 1,2-diethyl ester
- NSC-139988
- NSC139988
- Diethyl 2,2'-(cyclohexane-1,2-diyl)diacetate
- 92371-45-4
- DTXSID90919213
-
- Inchi： 1S/C14H24O4/c1-3-17-13(15)9-11-7-5-6-8-12(11)10-14(16)18-4-2/h11-12H,3-10H2,1-2H3
- InChI Key： HKLBAQICHFMABF-UHFFFAOYSA-N
- SMILES： O(CC)C(CC1CCCCC1CC(=O)OCC)=O
Computed Properties
- Exact Mass: 256.167
- Monoisotopic Mass: 256.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.006
- Boiling Point: 318.3°Cat760mmHg
- Flash Point: 147.7°C
- Refractive Index: 1.449
1,2-Cyclohexanediaceticacid, 1,2-diethyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
92371-45-4 (1,2-Cyclohexanediaceticacid, 1,2-diethyl ester) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 5870-68-8(Ethyl 3-Methylvalerate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 14352-61-5(Methylcyclohexaneacetate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 2035-99-6(Isopentyl octanoate)
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