Cas no 94732-93-1 ([1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)-)
![[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)- structure](https://ossimg.kuujia.com/scimg/95000/94732-93-1x500.png)
94732-93-1 structure
Product Name:[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)-
CAS No:94732-93-1
MF:C27H48O2
MW:404.668828964233
CID:811130
PubChem ID:20135153
Update Time:2025-04-19
[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)-
- (4-propylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
- DTXSID90915336
- 4-Propylcyclohexyl[trans[trans(trans)]]-4'-pentyl[1,1'-bicyclohexyl]-4-carboxylate
- 94732-93-1
- EINECS 305-575-4
- SCHEMBL10660736
- SCHEMBL18503066
- SCHEMBL10660725
- 4-Propylcyclohexyl 4'-pentyl[1,1'-bi(cyclohexane)]-4-carboxylate
- 4-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate
-
- Inchi： 1S/C27H48O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h21-26H,3-20H2,1-2H3
- InChI Key： OVFOZIMLZLERHF-UHFFFAOYSA-N
- SMILES： O(C1CCC(CCC)CC1)C(C1CCC(CC1)C1CCC(CCCCC)CC1)=O
Computed Properties
- Exact Mass: 404.365430770g/mol
- Monoisotopic Mass: 404.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 449
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.96±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (1.0E-5 g/L) (25 oC),
[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
94732-93-1 ([1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)-) Related Products
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