Cas no 26386-42-5 (1,4-Benzenedicarboxylicacid, 1-butyl 4-(phenylmethyl) ester)
26386-42-5 structure
Product Name:1,4-Benzenedicarboxylicacid, 1-butyl 4-(phenylmethyl) ester
CAS No:26386-42-5
MF:C19H20O4
MW:312.359705924988
CID:256837
PubChem ID:3015267
Update Time:2025-04-19
1,4-Benzenedicarboxylicacid, 1-butyl 4-(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylicacid, 1-butyl 4-(phenylmethyl) ester
- 4-O-benzyl 1-O-butyl benzene-1,4-dicarboxylate
- benzyl butyl benzene-1,4-dicarboxylate
- Benzyl butyl terephthalate
- SCHEMBL11416620
- NS00028101
- 26386-42-5
- EINECS 247-643-5
- DTXSID90180986
-
- Inchi： 1S/C19H20O4/c1-2-3-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3
- InChI Key： IEICWPCBTOBBDK-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=O)OCC2C=CC=CC=2)=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 312.1362
- Monoisotopic Mass: 312.136159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 366
- 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: 4.9
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1.134
- Boiling Point: 436.6°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.553
- PSA: 52.6
1,4-Benzenedicarboxylicacid, 1-butyl 4-(phenylmethyl) ester Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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