Cas no 125500-84-7 (Hexanoic acid, 2-(ethoxymethylene)-3-oxo-,ethyl ester)
125500-84-7 structure
Product Name:Hexanoic acid, 2-(ethoxymethylene)-3-oxo-,ethyl ester
CAS No:125500-84-7
MF:C11H18O4
MW:214.258224010468
CID:134218
PubChem ID:3359484
Update Time:2025-04-19
Hexanoic acid, 2-(ethoxymethylene)-3-oxo-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-(ethoxymethylene)-3-oxo-,ethyl ester
- ethyl 2-(ethoxymethylidene)-3-oxohexanoate
- ethyl 2-butyryl-3-ethoxyacrylate
- Ethyl 2-butyryl-3-ethoxyacrylate, tech
- ethyl 2-(ethoxymethylene)-3-oxohexanoate
- 125500-84-7
- ethyl 2-butyryl-3-ethoxyprop-2-enoate
- DTXSID10391774
- LECIVGGFOMFFFQ-UHFFFAOYSA-N
-
- Inchi： 1S/C11H18O4/c1-4-7-10(12)9(8-14-5-2)11(13)15-6-3/h8H,4-7H2,1-3H3
- InChI Key： LECIVGGFOMFFFQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(=COCC)C(CCC)=O)=O
Computed Properties
- Exact Mass: 214.12100
- Monoisotopic Mass: 214.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.017
- Boiling Point: 140 °C
- Flash Point: 129.4°C
- Refractive Index: 1.449
- PSA: 52.60000
- LogP: 1.83910
Hexanoic acid, 2-(ethoxymethylene)-3-oxo-,ethyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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