Cas no 27819-09-6 (2-Butenoic acid,2-methyl-2-propen-1-yl ester)
27819-09-6 structure
Product Name:2-Butenoic acid,2-methyl-2-propen-1-yl ester
CAS No:27819-09-6
MF:C8H12O2
MW:140.179682731628
CID:256272
PubChem ID:6438181
Update Time:2025-04-19
2-Butenoic acid,2-methyl-2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methyl-2-propen-1-yl ester
- 2-methylprop-2-enyl but-2-enoate
- 2-Methylallyl 2-butenoate
- 2-methylprop-2-en-1-yl (2E)-but-2-enoate
- EINECS 248-676-8
- 27819-09-6
-
- Inchi： 1S/C8H12O2/c1-4-5-8(9)10-6-7(2)3/h4-5H,2,6H2,1,3H3/b5-4+
- InChI Key： WKMKXWTZXKHHBV-SNAWJCMRSA-N
- SMILES： O(C(/C=C/C)=O)CC(=C)C
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 2.2
Experimental Properties
- Density: 0.918
- Boiling Point: 174°C at 760 mmHg
- Flash Point: 63°C
- Refractive Index: 1.443
- PSA: 26.3
2-Butenoic acid,2-methyl-2-propen-1-yl ester Related Literature
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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