Cas no 50972-56-0 (2-Propenoic acid,dodecylpentadecyl ester (9CI))
50972-56-0 structure
Product Name:2-Propenoic acid,dodecylpentadecyl ester (9CI)
CAS No:50972-56-0
MF:C30H58O2
MW:450.780330181122
CID:376128
PubChem ID:3016576
Update Time:2025-04-19
2-Propenoic acid,dodecylpentadecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,dodecylpentadecyl ester (9CI)
- dodecylpentadecyl acrylate
- heptacosan-13-yl prop-2-enoate
- 1-dodecylpentadecyl prop-2-enoate
- DTXSID40965240
- NS00056565
- 50972-56-0
- SCHEMBL7649124
- EINECS 256-868-8
-
- Inchi： 1S/C30H58O2/c1-4-7-9-11-13-15-17-18-20-22-24-26-28-29(32-30(31)6-3)27-25-23-21-19-16-14-12-10-8-5-2/h6,29H,3-5,7-28H2,1-2H3
- InChI Key： UTMCSDLQVRFUET-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)C(CCCCCCCCCCCC)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 450.44394
- Monoisotopic Mass: 450.444
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 27
- Complexity: 390
- 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: 14.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.862
- Boiling Point: 516.1°Cat760mmHg
- Flash Point: 205.8°C
- Refractive Index: 1.457
- PSA: 26.3
2-Propenoic acid,dodecylpentadecyl ester (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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