Cas no 21583-35-7 (1,2-Cyclohexanedicarboxylicacid, 1-butyl ester)
21583-35-7 structure
Product Name:1,2-Cyclohexanedicarboxylicacid, 1-butyl ester
CAS No:21583-35-7
MF:C12H20O4
MW:228.284804344177
CID:276238
PubChem ID:89519
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylicacid, 1-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylicacid, 1-butyl ester
- 2-butoxycarbonylcyclohexane-1-carboxylic acid
- 2-(butoxycarbonyl)cyclohexanecarboxylic acid
- Butyl hydrogen cyclohexane-1,2-dicarboxylate
- SCHEMBL1296512
- 21583-35-7
- NS00050304
- DTXSID80944190
- 2-(BUTOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID
- EINECS 244-456-0
-
- Inchi： 1S/C12H20O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
- InChI Key： VRHUZZLSVQTROS-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1CCCCC1C(=O)O)=O
Computed Properties
- Exact Mass: 228.1362
- Monoisotopic Mass: 228.136159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 249
- 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: 63.6
- XLogP3: 2.4
Experimental Properties
- Density: 1.109
- Boiling Point: 346.2°Cat760mmHg
- Flash Point: 126.7°C
- Refractive Index: 1.481
- PSA: 63.6
1,2-Cyclohexanedicarboxylicacid, 1-butyl ester Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
21583-35-7 (1,2-Cyclohexanedicarboxylicacid, 1-butyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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