Cas no 123647-93-8 (Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester)
123647-93-8 structure
Product Name:Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester
CAS No:123647-93-8
MF:C13H24O4
MW:244.327264785767
CID:104046
PubChem ID:78939
Update Time:2025-04-18
Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester
- DIETHYL SEC-BUTYLETHYLMALONATE
- Aethyl-isobutyl-malonsaeure-diaethylester
- Diethyl4-methyl-3,3-hexanedicarboxylate
- ethyl-isobutyl-malonic acid diethyl ester
- ALPHA-sec-Butyl-ALPHA-ethylmalonic acid diethyl ester
- Propanedioic acid, ethyl(1-methylpropyl)-, diethyl ester
- NSC10822
- Diethyl 2-(sec-butyl)-2-ethylmalonate
- DTXSID901018954
- sec-Butylethylmalonic acid, diethyl ester
- W-104346
- EINECS 200-980-1
- 76-71-1
- 123647-93-8
- FT-0643014
- diethyl 2-sec-butyl-2-ethylmalonate
- FT-0624857
- NS00041215
- NSC 10822
- NSC-10822
- diethyl 2-butan-2-yl-2-ethylpropanedioate
- A805132
-
- Inchi： 1S/C13H24O4/c1-6-10(5)13(7-2,11(14)16-8-3)12(15)17-9-4/h10H,6-9H2,1-5H3
- InChI Key： WZFGIKMWBJCRBU-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)C(C)CC)=O
Computed Properties
- Exact Mass: 244.16700
- Monoisotopic Mass: 244.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 242
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 3.5
Experimental Properties
- Density: 0.975
- Boiling Point: 253 °C at 760 mmHg
- Flash Point: 107.5 °C
- Refractive Index: 1.437
- PSA: 52.60000
- LogP: 2.55510
Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
123647-93-8 (Propanedioic acid,2-ethyl-2-(2-methylpropyl)-, 1,3-diethyl ester) Related Products
- 27132-23-6(Dimethyl diethylmalonate)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 7459-46-3(1,1,2-triethyl ethane-1,1,2-tricarboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 1559-02-0(Diethyl 1,1-cyclopropanedicarboxylate)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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