Cas no 137204-05-8 (1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester)
137204-05-8 structure
Product Name:1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester
CAS No:137204-05-8
MF:C38H60O8
MW:644.878212928772
CID:1244100
PubChem ID:71341554
Update Time:2025-04-20
1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester
- 2,5-bis(tetradecoxycarbonyl)terephthalate
- 137204-05-8
- 2,5-Bis[(tetradecyloxy)carbonyl]benzene-1,4-dicarboxylate
- DTXSID00768456
-
- Inchi： 1S/C38H62O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-45-37(43)33-29-32(36(41)42)34(30-31(33)35(39)40)38(44)46-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3,(H,39,40)(H,41,42)/p-2
- InChI Key： CTCDUNSVNKYNRA-UHFFFAOYSA-L
- SMILES： O(C(C1C=C(C(=O)[O-])C(=CC=1C(=O)[O-])C(=O)OCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 644.42881887g/mol
- Monoisotopic Mass: 644.42881887g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 46
- Rotatable Bond Count: 30
- Complexity: 736
- 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: 15.3
- Topological Polar Surface Area: 133?2
1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
137204-05-8 (1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester) Related Products
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 84-61-7(Dicyclohexyl phthalate)
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
- 85-68-7(Benzyl butyl phthalate)
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