Cas no 5467-12-9 (Hexanoicacid, 3-(tetrahydro-2-furanyl)propyl ester)
5467-12-9 structure
Product Name:Hexanoicacid, 3-(tetrahydro-2-furanyl)propyl ester
CAS No:5467-12-9
MF:C13H24O3
MW:228.327864646912
CID:385613
PubChem ID:227192
Update Time:2025-04-19
Hexanoicacid, 3-(tetrahydro-2-furanyl)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoicacid, 3-(tetrahydro-2-furanyl)propyl ester
- CTK5A2192; AC1L5FBC; 3-(tetrahydrofuran-2-yl)propyl hexanoate; hexanoic acid-(3-tetrahydro[2]furyl-propyl ester); AG-J-44090; NSC18536; AC1Q670J; AR-1E8039; Hexansaeure-(3-tetrahydro[2]furyl-propylester);
- 5467-12-9
- NSC18536
- DTXSID30280757
- hexanoic acid 3-tetrahydro-2-furyl-propyl ester
- NSC-18536
-
- Inchi： 1S/C13H24O3/c1-2-3-4-9-13(14)16-11-6-8-12-7-5-10-15-12/h12H,2-11H2,1H3
- InChI Key： PEWHIOPNDQHTHB-UHFFFAOYSA-N
- SMILES： O1CCCC1CCCOC(CCCCC)=O
Computed Properties
- Exact Mass: 228.17262
- Monoisotopic Mass: 228.173
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.966
- Boiling Point: 299.3°Cat760mmHg
- Flash Point: 120.2°C
- Refractive Index: 1.45
- PSA: 35.53
- LogP: 3.06910
Hexanoicacid, 3-(tetrahydro-2-furanyl)propyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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