Cas no 101885-12-5 (Octyl 4-cyclohexylbutanoate)
Octyl 4-cyclohexylbutanoate structure
Product Name:Octyl 4-cyclohexylbutanoate
CAS No:101885-12-5
MF:C18H34O2
MW:282.461366176605
CID:1131316
PubChem ID:71332681
Update Time:2025-04-20
Octyl 4-cyclohexylbutanoate Chemical and Physical Properties
Names and Identifiers
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- Octyl 4-cyclohexylbutanoate
- 101885-12-5
- Cyclohexanebutanoic acid, octyl ester
- DTXSID50761078
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- Inchi： 1S/C18H34O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h17H,2-16H2,1H3
- InChI Key： UBHXDGZYWCEJJY-UHFFFAOYSA-N
- SMILES： O(CCCCCCCC)C(CCCC1CCCCC1)=O
Computed Properties
- Exact Mass: 282.25602
- Monoisotopic Mass: 282.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 232
- 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: 7.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octyl 4-cyclohexylbutanoate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
101885-12-5 (Octyl 4-cyclohexylbutanoate) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 5870-68-8(Ethyl 3-Methylvalerate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 14352-61-5(Methylcyclohexaneacetate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 2035-99-6(Isopentyl octanoate)
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