Cas no 28127-58-4 (2-Butenoic acid,2-methyl-, 1-methylpropyl ester, (2E)-)
28127-58-4 structure
Product Name:2-Butenoic acid,2-methyl-, 1-methylpropyl ester, (2E)-
CAS No:28127-58-4
MF:C9H16O2
MW:156.222143173218
CID:251789
PubChem ID:6378649
Update Time:2025-04-19
2-Butenoic acid,2-methyl-, 1-methylpropyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methyl-, 1-methylpropyl ester, (2E)-
- sec-Butyl (2E)-2-methyl-2-butenoate
- SEC-BUTYL TIGLATE
- sec-Butyl (E)-2-methylbut-2-enoate
- butan-2-yl (E)-2-methylbut-2-enoate
- 28127-58-4
- J-016984
- UKJTZSWULQNVJI-FNORWQNLSA-N
- sec-Butyl tiglate, 97%
- SCHEMBL17088053
- DB-256063
-
- Inchi： 1S/C9H16O2/c1-5-7(3)9(10)11-8(4)6-2/h5,8H,6H2,1-4H3/b7-5+
- InChI Key： UKJTZSWULQNVJI-FNORWQNLSA-N
- SMILES： O(C(/C(=C/C)/C)=O)C(C)CC
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: Not available
- Density: 0.889?g/mL?at 25?°C(lit.)
- Boiling Point: 84.5?°C27?mm Hg(lit.)
- Flash Point: 151?°F
- Refractive Index: n20/D 1.435(lit.)
- PSA: 26.3
- LogP: 2.29430
- Solubility: Not available
2-Butenoic acid,2-methyl-, 1-methylpropyl ester, (2E)- 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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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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