Cas no 18060-77-0 (2-Butenoic acid,1-methylethyl ester)
18060-77-0 structure
Product Name:2-Butenoic acid,1-methylethyl ester
2-Butenoic acid,1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,1-methylethyl ester
- isopropyl but-2-enoate
- ISOPROPYL CROTONATE
- propan-2-yl but-2-enoate
- Crotonsaeure-i-propylester
- Crotonsaeureisopropylester
- EINECS 241-970-7
- i-propyl crotonate
- Isopropyl 2-butenoate
- Crotonic acid isopropyl ester
- SY052333
- NS00054435
- AKOS017265335
- (EZ)-isopropyl crotonate
- DTXSID00863738
- AI3-24668
- MFCD00059053
- 18060-77-0
- isopropyl (E)-crotonate
- 2-Butenoic acid, 1-methylethyl ester
- DB-209004
- AABBHSMFGKYLKE-UHFFFAOYSA-N
- 2-Butenoic acid 1-methylethyl ester
-
- Inchi： 1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3
- InChI Key： AABBHSMFGKYLKE-UHFFFAOYSA-N
- SMILES： O(C(C=CC)=O)C(C)C
Computed Properties
- Exact Mass: 128.08400
- Monoisotopic Mass: 128.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 114
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 1.7
Experimental Properties
- Density: 0.905
- Boiling Point: 143 oC
- Flash Point: 40 oC
- Refractive Index: 1.425
- PSA: 26.30000
- LogP: 1.51410
2-Butenoic acid,1-methylethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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