Cas no 43135-99-5 (1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester)
43135-99-5 structure
Product Name:1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
CAS No:43135-99-5
MF:C21H32O8
MW:412.473987579346
CID:332798
PubChem ID:6451960
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
- 2,2-dimethylpropane-1,3-diyl dihexahydrophthalate
- W-110984
- 1,1'-(2,2-Dimethylpropane-1,3-diyl)di(cyclohexane-1,2-dicarboxylic acid)
- EINECS 256-112-7
- 43135-99-5
- DTXSID20962914
-
- Inchi： 1S/C21H32O8/c1-19(2,11-20(17(26)27)9-5-3-7-13(20)15(22)23)12-21(18(28)29)10-6-4-8-14(21)16(24)25/h13-14H,3-12H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
- InChI Key： JDOSPEIBRFJPGG-UHFFFAOYSA-N
- SMILES： OC(C1(CCCCC1C(=O)O)CC(C)(C)CC1(C(=O)O)CCCCC1C(=O)O)=O
Computed Properties
- Exact Mass: 412.209718
- Monoisotopic Mass: 412.209718
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 628
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 149
- XLogP3: 3
Experimental Properties
- Density: 1.281
- Boiling Point: 659.5°Cat760mmHg
- Flash Point: 366.7°C
- Refractive Index: 1.538
1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
43135-99-5 (1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester) Related Products
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- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
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- 99-66-1(Valproic acid)
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