Cas no 16715-59-6 (Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI))
16715-59-6 structure
Product Name:Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI)
CAS No:16715-59-6
MF:C12H18CaO6
MW:298.345723628998
CID:189155
PubChem ID:54692148
Update Time:2025-04-19
Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI)
- Bis(1-ethoxy-1,3-dioxo-2-butanyl)calcium
- Acetoacetic acid, ethyl ester, calcium complex (2:1)
- Bis(hydrogen acetoacetato)calcium diethyl ester
- Calcium bis(2-ethoxycarbonyl-1-methylvinyl oxide)
- Calcium ethyl acetoacetate
- Calcium ethyl acetylacetonate
- Calcium, bis(ethyl-3-oxobutanoato-O(sup 1),O(sup 3)-, (T-4)- (9CI)
- Calcium, bis(hydrogen acetoacetato)-, diethyl ester (8CI)
- Ethyl acetoacetate calcium salt
- Ethyl calcioacetoacetate
- Calcium, bis(ethyl-3-oxobutanoato-O(sup 1),O(sup 3)-, (T-4)-
- 16715-59-6
- UNII-05DZX5842X
- Calcio acetoacetic ester
- Calcium, bis(hydrogen acetoacetato)-, diethyl ester
- 05DZX5842X
- DTXSID601337713
- BUTANOIC ACID, 3-OXO-, ETHYL ESTER, ION(1-), CALCIUM
- EINECS 240-769-1
- BIS(ETHYL ACETOACETATO)CALCIUM
-
- Inchi： 1S/2C6H10O3.Ca/c2*1-3-9-6(8)4-5(2)7;/h2*4,7H,3H2,1-2H3;/q;;+2/p-2/b2*5-4-;
- InChI Key： WKYLIJPMLYKABW-SJGYQHGCSA-L
- SMILES： [Ca+2].O(C(/C=C(/C)\[O-])=O)CC.O(C(/C=C(/C)\[O-])=O)CC
Computed Properties
- Exact Mass: 298.07294
- Monoisotopic Mass: 298.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 126
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98.7A^2
Experimental Properties
- Boiling Point: 225.4°C at 760 mmHg
- Flash Point: 91.7°C
- PSA: 98.72
Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
16715-59-6 (Butanoic acid, 3-oxo-,ethyl ester, ion(1-), calcium (9CI)) Related Products
- 13195-66-9(3-Oxodecanoic Acid Ethyl Ester)
- 19150-71-1(Butanoic acid, 3-oxo-,octadecyl ester)
- 42598-96-9(Heptyl 3-Oxobutanoate)
- 13562-84-0(Hexyl Acetoacetate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 1779-60-8(Propyl Acetoacetate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 16436-00-3(Octyl 3-Oxobutanoate)
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