Cas no 16491-56-8 (2-Butenoic acid,2-methylpentyl ester)
16491-56-8 structure
Product Name:2-Butenoic acid,2-methylpentyl ester
CAS No:16491-56-8
MF:C10H18O2
MW:170.248723506927
CID:160159
PubChem ID:5383732
Update Time:2025-04-19
2-Butenoic acid,2-methylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methylpentyl ester
- 2-methylpentyl (Z)-but-2-enoate
- AC1NTLW4
- NSC190955
- NSC-190955
- DTXSID90419425
- 16491-56-8
-
- Inchi： 1S/C10H18O2/c1-4-6-9(3)8-12-10(11)7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-
- InChI Key： QVOUEQIWOAXABY-ALCCZGGFSA-N
- SMILES： O(C(/C=C\C)=O)CC(C)CCC
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.891
- Boiling Point: 210.1°Cat760mmHg
- Flash Point: 88.2°C
- Refractive Index: 1.438
- PSA: 26.3
- LogP: 2.54190
2-Butenoic acid,2-methylpentyl ester Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
16491-56-8 (2-Butenoic acid,2-methylpentyl ester) Related Products
- 103-11-7(2-Ethylhexyl acrylate)
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 7283-69-4(Diisobutyl fumarate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 14234-82-3(Diisobutyl maleate)
- 589-66-2(Crotonicacidisobutylester; 98%)
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