Cas no 93980-90-6 (2(3H)-Furanone,5-hexyldihydromethyl- (9CI))
93980-90-6 structure
Product Name:2(3H)-Furanone,5-hexyldihydromethyl- (9CI)
CAS No:93980-90-6
MF:C11H18O2
MW:182.259423732758
CID:811169
PubChem ID:44145786
Update Time:2025-04-19
2(3H)-Furanone,5-hexyldihydromethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Furanone,5-hexyldihydromethyl- (9CI)
- 5-hexyl-3-methyloxolan-2-one
- 5-hexyldihydromethylfuran-2(3H)-one
- DTXSID10916784
- 5-Hexyl-3-methylfuran-2(3H)-one
- EINECS 301-070-8
- 93980-90-6
-
- Inchi: 1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h8-9H,3-7H2,1-2H3
- InChI Key: KGOKIKUWPSPJNC-UHFFFAOYSA-N
- SMILES: O1C(C(C)C=C1CCCCCC)=O
Computed Properties
- Exact Mass: 182.131
- Monoisotopic Mass: 182.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 206
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3.6
Experimental Properties
- Density: 0.922
- Boiling Point: 275.4°Cat760mmHg
- Flash Point: 110.1°C
- Refractive Index: 1.44
2(3H)-Furanone,5-hexyldihydromethyl- (9CI) Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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