Cas no 13141-04-3 (2-Propenoic acid,2,2-dimethylhexyl ester)
13141-04-3 structure
Product Name:2-Propenoic acid,2,2-dimethylhexyl ester
CAS No:13141-04-3
MF:C11H20O2
MW:184.275303840637
CID:185034
PubChem ID:83174
Update Time:2025-04-19
2-Propenoic acid,2,2-dimethylhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2,2-dimethylhexyl ester
- 2,2-dimethylhexyl acrylate
- 2,2-dimethylhexyl prop-2-enoate
- Einecs 236-076-9
- Acrylic acid 2,2-dimethylhexyl ester
- SCHEMBL23494036
- EF4P3FZT62
- 1-Hexanol, 2,2-dimethyl-, acrylate
- 13141-04-3
- 2-Propenoic acid, 2,2-dimethylhexyl ester
- NS00021595
- Acrylic acid, 2,2-dimethylhexyl ester
- DTXSID30157031
-
- Inchi： 1S/C11H20O2/c1-5-7-8-11(3,4)9-13-10(12)6-2/h6H,2,5,7-9H2,1,3-4H3
- InChI Key： ZDEMXHSNWUJBIV-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)CC(C)(C)CCCC
Computed Properties
- Exact Mass: 184.1464
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid,2,2-dimethylhexyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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