Cas no 4647-35-2 (tetrahydrofuran-2-ylmethyl 4-methylbenzoate)
4647-35-2 structure
Product Name:tetrahydrofuran-2-ylmethyl 4-methylbenzoate
CAS No:4647-35-2
MF:C13H16O3
MW:220.264344215393
CID:930384
PubChem ID:236089
Update Time:2025-04-19
tetrahydrofuran-2-ylmethyl 4-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- tetrahydrofuran-2-ylmethyl 4-methylbenzoate
- Tetrahydro-2-furanylmethyl 4-methylbenzoate
- oxolan-2-ylmethyl 4-methylbenzoate
- DTXSID00284646
- p-Toluic acid, 2-tetrahydrofurylmethyl ester
- RRMVAGSWWRFHFY-UHFFFAOYSA-N
- NSC38137
- Tetrahydro-2-furanylmethyl 4-methylbenzoate #
- AKOS017089077
- 4647-35-2
- NSC-38137
-
- Inchi： 1S/C13H16O3/c1-10-4-6-11(7-5-10)13(14)16-9-12-3-2-8-15-12/h4-7,12H,2-3,8-9H2,1H3
- InChI Key： RRMVAGSWWRFHFY-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 231
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.104
- Boiling Point: 329°C at 760 mmHg
- Flash Point: 135.6°C
- Refractive Index: 1.523
- PSA: 35.53
tetrahydrofuran-2-ylmethyl 4-methylbenzoate Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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