Cas no 3953-30-8 (2-Propenoic acid,2-methylpentyl ester)
3953-30-8 structure
Product Name:2-Propenoic acid,2-methylpentyl ester
2-Propenoic acid,2-methylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-methylpentyl ester
- 2-methylpentyl prop-2-enoate
- 2-Methylpentyl acrylate
- DTXSID30960143
- EINECS 223-547-9
- 3953-30-8
- NS00048767
- SCHEMBL607908
-
- Inchi： 1S/C9H16O2/c1-4-6-8(3)7-11-9(10)5-2/h5,8H,2,4,6-7H2,1,3H3
- InChI Key： SEDMFAYCVMLBFB-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)CC(C)CCC
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.887
- Boiling Point: 185.8°Cat760mmHg
- Flash Point: 55.7°C
- Refractive Index: 1.427
- PSA: 26.3
2-Propenoic acid,2-methylpentyl ester Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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