Cas no 33601-75-1 (Octanoic acid, (tetrahydro-2-furanyl)methyl ester)
33601-75-1 structure
Product Name:Octanoic acid, (tetrahydro-2-furanyl)methyl ester
CAS No:33601-75-1
MF:C13H24O3
MW:228.327864646912
CID:292713
PubChem ID:551318
Update Time:2025-04-19
Octanoic acid, (tetrahydro-2-furanyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, (tetrahydro-2-furanyl)methyl ester
- oxolan-2-ylmethyl octanoate
- tetrahydro-2-furfuryl octanoate
- Tetrahydro-2-furanylmethyl octanoate #
- DTXSID50338820
- 33601-75-1
- YSQZRHYJAJOFIN-UHFFFAOYSA-N
- Octanoic acid, 2-tetrahydrofurylmethyl ester
-
- Inchi： 1S/C13H24O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h12H,2-11H2,1H3
- InChI Key： YSQZRHYJAJOFIN-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(CCCCCCC)=O
Computed Properties
- Exact Mass: 228.17262
- Monoisotopic Mass: 228.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 192
- 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: 3.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Octanoic acid, (tetrahydro-2-furanyl)methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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