Cas no 5460-59-3 (Oxolan-2-ylmethyl Heptanoate)
Oxolan-2-ylmethyl Heptanoate structure
Product Name:Oxolan-2-ylmethyl Heptanoate
CAS No:5460-59-3
MF:C12H22O3
MW:214.301284313202
CID:942155
PubChem ID:229380
Update Time:2025-04-19
Oxolan-2-ylmethyl Heptanoate Chemical and Physical Properties
Names and Identifiers
-
- Oxolan-2-ylmethyl Heptanoate
- AC1L5H6P
- AC1Q66C1
- AR-1L6423
- NSC23051
- NSC-23051
- tetrahydrofuran-2-ylmethyl heptanoate
- DTXSID10281787
- 5460-59-3
-
- Inchi： 1S/C12H22O3/c1-2-3-4-5-8-12(13)15-10-11-7-6-9-14-11/h11H,2-10H2,1H3
- InChI Key： OPVZUZXHVJJCKC-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(CCCCCC)=O
Computed Properties
- Exact Mass: 214.15696
- Monoisotopic Mass: 214.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 180
- 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: 3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.974
- Boiling Point: 288.9°C at 760 mmHg
- Flash Point: 116.8°C
- Refractive Index: 1.448
- PSA: 35.53
- LogP: 2.67900
Oxolan-2-ylmethyl Heptanoate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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