Cas no 37981-16-1 (4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester)
37981-16-1 structure
Product Name:4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester
CAS No:37981-16-1
MF:C16H26O4
MW:282.375245571136
CID:317637
PubChem ID:3015951
Update Time:2025-04-19
4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester
- Dibutyl cyclohex-4-ene-1,2-dicarboxylate
- EINECS 253-738-2
- UNII-M3Q7S3AL0C
- NS00056436
- M3Q7S3AL0C
- SCHEMBL1169314
- DTXSID30958969
- 37981-16-1
- Dibutyl 4-cyclohexene-1,2-dicarboxylate
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- Inchi： 1S/C16H26O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3
- InChI Key： ANOXPYCDNXHEEE-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1CC=CCC1C(=O)OCCCC)=O
Computed Properties
- Exact Mass: 282.18318
- Monoisotopic Mass: 282.183109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 303
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 3.6
Experimental Properties
- Density: 1.03
- Boiling Point: 358.1°Cat760mmHg
- Flash Point: 168.5°C
- Refractive Index: 1.473
- PSA: 52.6
4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
37981-16-1 (4-Cyclohexene-1,2-dicarboxylicacid, 1,2-dibutyl ester) Related Products
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