Cas no 71340-46-0 (Pentanedioic acid,1,5-bis(1-methylethyl) ester)
71340-46-0 structure
Product Name:Pentanedioic acid,1,5-bis(1-methylethyl) ester
CAS No:71340-46-0
MF:C11H20O4
MW:216.274104118347
CID:567716
PubChem ID:96330
Update Time:2025-04-19
Pentanedioic acid,1,5-bis(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,1,5-bis(1-methylethyl) ester
- bis(1-methylethyl) pentanedioate
- diisopropyl glutarate
- dipropan-2-yl pentanedioate
- isopropyl glutarate
- NS00037192
- EINECS 275-345-5
- SCHEMBL18619
- Glutarsaure-diisopropylester
- Pentanedioic acid, bis(1-methylethyl) ester
- AI3-06041
- NSC 67891
- NSC-67891
- Q65224961
- 71340-46-0
- DTXSID20221538
- NSC67891
- Glutaric acid, diisopropyl ester
-
- Inchi： 1S/C11H20O4/c1-8(2)14-10(12)6-5-7-11(13)15-9(3)4/h8-9H,5-7H2,1-4H3
- InChI Key： MSQKMFXJFBXZNQ-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)OC(C)C)=O)C(C)C
Computed Properties
- Exact Mass: 216.1362
- Monoisotopic Mass: 216.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 187
- 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: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.992
- Boiling Point: 237.8°C at 760 mmHg
- Flash Point: 103.1°C
- Refractive Index: 1.431
- PSA: 52.6
Pentanedioic acid,1,5-bis(1-methylethyl) ester Related Literature
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
71340-46-0 (Pentanedioic acid,1,5-bis(1-methylethyl) ester) Related Products
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