Cas no 76803-34-4 (5-Hexenoic acid, 2,5-dimethyl-2-(2-propenyl)-, ethyl ester)
76803-34-4 structure
Product Name:5-Hexenoic acid, 2,5-dimethyl-2-(2-propenyl)-, ethyl ester
CAS No:76803-34-4
MF:C13H22O2
MW:210.312584400177
CID:1781692
Update Time:2024-11-27
5-Hexenoic acid, 2,5-dimethyl-2-(2-propenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Hexenoic acid, 2,5-dimethyl-2-(2-propenyl)-, ethyl ester
- 5-Hexenoic acid, 2,5-dimethyl-2-(2-propen-1-yl)-, ethyl ester
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- Inchi： 1S/C13H22O2/c1-6-9-13(5,10-8-11(3)4)12(14)15-7-2/h6H,1,3,7-10H2,2,4-5H3
- InChI Key： GURFOULGHVBTTD-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C(C)(CC=C)CCC(C)=C
Computed Properties
- Exact Mass: 210.16206
Experimental Properties
- Density: 0.888±0.06 g/cm3(Predicted)
- Boiling Point: 249.1±19.0 °C(Predicted)
- PSA: 26.3
5-Hexenoic acid, 2,5-dimethyl-2-(2-propenyl)-, ethyl ester Related Literature
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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