Cas no 51575-80-5 (2-Propenoic acid,1-methylbutyl ester)
51575-80-5 structure
Product Name:2-Propenoic acid,1-methylbutyl ester
CAS No:51575-80-5
MF:C8H14O2
MW:142.195562839508
CID:369804
PubChem ID:103492
Update Time:2025-04-19
2-Propenoic acid,1-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,1-methylbutyl ester
- 1-methylbutyl acrylate
- pentan-2-yl prop-2-enoate
- acrylic acid 1-methyl-butyl ester
- NS00057234
- 51575-80-5
- DTXSID50965897
- SCHEMBL991364
- EINECS 257-293-5
-
- Inchi： 1S/C8H14O2/c1-4-6-7(3)10-8(9)5-2/h5,7H,2,4,6H2,1,3H3
- InChI Key： RNGPDYJPLDLVJI-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)C(C)CCC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 118
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.891
- Boiling Point: 163.3°C at 760 mmHg
- Flash Point: 45.4°C
- Refractive Index: 1.422
- PSA: 26.3
2-Propenoic acid,1-methylbutyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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