Cas no 123248-21-5 ((e)-3-p-tolyl-acrylic acid butyl ester)
123248-21-5 structure
Product Name:(e)-3-p-tolyl-acrylic acid butyl ester
CAS No:123248-21-5
MF:C14H18O2
MW:218.291524410248
CID:896295
PubChem ID:57357413
Update Time:2025-04-19
(e)-3-p-tolyl-acrylic acid butyl ester Chemical and Physical Properties
Names and Identifiers
-
- (e)-3-p-tolyl-acrylic acid butyl ester
- butyl 3-(4-methylphenyl)prop-2-enoate
- 2-propenoic acid, 3-(4-methylphenyl)-, butyl ester, (2E)-
- Butyl (2E)-3-(4-methylphenyl)acrylate
- butyl (2E)-3-(4-methylphenyl)prop-2-enoate
-
- Inchi： 1S/C14H18O2/c1-3-4-11-16-14(15)10-9-13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3
- InChI Key： HSZFATWQHNKARJ-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(C)=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 218.131
- Monoisotopic Mass: 218.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.01
- Boiling Point: 321.854°C at 760 mmHg
- Flash Point: 174.75°C
- Refractive Index: 1.535
- PSA: 26.30000
- LogP: 3.35150
(e)-3-p-tolyl-acrylic acid butyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
123248-21-5 ((e)-3-p-tolyl-acrylic acid butyl ester) Related Products
- 7778-83-8(Propyl cinnamate)
- 7779-65-9(Isopentyl cinnamate)
- 103-36-6(Ethyl cinnamate)
- 7780-06-5(Isopropyl cinnamate)
- 20511-20-0(Ethyl 4-Methylcinnamate)
- 3487-99-8(Pentyl cinnamate)
- 122-67-8(2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)
- 122-69-0(2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester)
- 10032-08-3(Heptyl cinnamate)
- 1866-31-5(Allyl cinnamate)
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