Cas no 53445-36-6 (Hexanedioic acid,2,2,4(or 2,4,4)-trimethyl-, bis(oxiranylmethyl) ester (9CI))
53445-36-6 structure
Product Name:Hexanedioic acid,2,2,4(or 2,4,4)-trimethyl-, bis(oxiranylmethyl) ester (9CI)
CAS No:53445-36-6
MF:C15H24O6
MW:300.347465515137
CID:380286
PubChem ID:103782
Update Time:2025-04-19
Hexanedioic acid,2,2,4(or 2,4,4)-trimethyl-, bis(oxiranylmethyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,2,2,4(or 2,4,4)-trimethyl-, bis(oxiranylmethyl) ester (9CI)
- bis(oxiran-2-ylmethyl) 2,2,4-trimethylhexanedioate
- Bis(oxiranylmethyl) 2,2,4(or 2,4,4)-trimethyladipate
- DTXSID80968119
- Bis[(oxiran-2-yl)methyl] 2,2,4-trimethylhexanedioate
- 53445-36-6
- EINECS 258-555-1
-
- Inchi： 1S/C15H24O6/c1-10(4-13(16)20-8-11-6-18-11)5-15(2,3)14(17)21-9-12-7-19-12/h10-12H,4-9H2,1-3H3
- InChI Key： UWDFQCNMKSEPIS-UHFFFAOYSA-N
- SMILES： O1CC1COC(C(C)(C)CC(C)CC(=O)OCC1CO1)=O
Computed Properties
- Exact Mass: 300.157289
- Monoisotopic Mass: 300.157289
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 392
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.7
- XLogP3: 1.3
Experimental Properties
- Density: 1.163
- Boiling Point: 393.9°C at 760 mmHg
- Flash Point: 171.8°C
- Refractive Index: 1.486
Hexanedioic acid,2,2,4(or 2,4,4)-trimethyl-, bis(oxiranylmethyl) ester (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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