Cas no 5451-26-3 ( )
structure
Product Name:
CAS No:5451-26-3
MF:C15H28O3
MW:256.381025314331
CID:941660
PubChem ID:227199
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-(oxolan-2-yl)propyl octanoate
- 3-(tetrahydrofuran-2-yl)propyl octanoate
- AC1L5FBJ
- AG-J-68721
- AR-1E8040
- CTK5A1364
- NSC18543
- octanoic acid-(3-tetrahydro[2]furyl-propyl ester)
- Octansaeure-(3-tetrahydro[2]furyl-propylester)
- NSC-18543
- 5451-26-3
- DTXSID20280761
-
-
- Inchi： 1S/C15H28O3/c1-2-3-4-5-6-11-15(16)18-13-8-10-14-9-7-12-17-14/h14H,2-13H2,1H3
- InChI Key： KVUNWOCBMHOMRS-UHFFFAOYSA-N
- SMILES： O1CCCC1CCCOC(CCCCCCC)=O
Computed Properties
- Exact Mass: 256.20394
- Monoisotopic Mass: 256.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.951
- Boiling Point: 332.5°C at 760 mmHg
- Flash Point: 131.3°C
- Refractive Index: 1.453
- PSA: 35.53
Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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