Cas no 100231-61-6 (Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester)
![Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester structure](https://ossimg.kuujia.com/scimg/100500/100231-61-6x500.png)
100231-61-6 structure
Product Name:Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
CAS No:100231-61-6
MF:C28H50O8
MW:514.691810131073
CID:168086
PubChem ID:113554
Update Time:2025-04-19
Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
- bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] succinate
- bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] butanedioate
- Bis(1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl) succinate
- bis{2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl} butanedioate
- Butanedioicacid, bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester(9CI)
- Bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl]succinate
- Butanedioic acid bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
- EINECS 309-361-1
- 100231-61-6
- DTXSID30905276
- NS00066227
-
- Inchi： 1S/C28H50O8/c1-17(2)23(27(9,10)15-33-25(31)19(5)6)35-21(29)13-14-22(30)36-24(18(3)4)28(11,12)16-34-26(32)20(7)8/h17-20,23-24H,13-16H2,1-12H3
- InChI Key： YSMQUFSPEWTPTR-UHFFFAOYSA-N
- SMILES： O(C(CCC(=O)OC(C(C)C)C(C)(C)COC(C(C)C)=O)=O)C(C(C)C)C(C)(C)COC(C(C)C)=O
Computed Properties
- Exact Mass: 514.3507
- Monoisotopic Mass: 514.351
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 36
- Rotatable Bond Count: 19
- Complexity: 672
- 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: 6.9
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.015
- Boiling Point: 536.2°Cat760mmHg
- Flash Point: 220.2°C
- Refractive Index: 1.458
- PSA: 105.2
Butanedioic acid,1,4-bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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