Cas no 5859-39-2 (Butanedioic acid, (2-phenylethyl)-, didecyl ester)
5859-39-2 structure
Product Name:Butanedioic acid, (2-phenylethyl)-, didecyl ester
CAS No:5859-39-2
MF:C32H54O4
MW:502.768770694733
CID:341546
PubChem ID:71443448
Update Time:2025-04-19
Butanedioic acid, (2-phenylethyl)-, didecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (2-phenylethyl)-, didecyl ester
- didecyl 2-(2-phenylethyl)butanedioate
- DTXSID50852273
- 5859-39-2
-
- Inchi： 1S/C32H54O4/c1-3-5-7-9-11-13-15-20-26-35-31(33)28-30(25-24-29-22-18-17-19-23-29)32(34)36-27-21-16-14-12-10-8-6-4-2/h17-19,22-23,30H,3-16,20-21,24-28H2,1-2H3
- InChI Key： FTSHPERYWZKPGZ-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCCCCCCCCCC)CCC1C=CC=CC=1)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 502.40242
- Monoisotopic Mass: 502.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 26
- Complexity: 512
- 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: 11.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, (2-phenylethyl)-, didecyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
5859-39-2 (Butanedioic acid, (2-phenylethyl)-, didecyl ester) Related Products
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