Cas no 76331-32-3 ([1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI))
![[1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/76500/76331-32-3x500.png)
76331-32-3 structure
Product Name:[1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI)
CAS No:76331-32-3
MF:C29H26O2
MW:406.515548229218
CID:580498
PubChem ID:331661
Update Time:2025-04-19
[1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI)
- ethyl 2,5-dimethyl-3,4,6-triphenylbenzoate
- AC1L79JH
- NSC325687
- NSC-325687
- 76331-32-3
- DTXSID30318084
-
- Inchi： 1S/C29H26O2/c1-4-31-29(30)28-21(3)26(23-16-10-6-11-17-23)25(22-14-8-5-9-15-22)20(2)27(28)24-18-12-7-13-19-24/h5-19H,4H2,1-3H3
- InChI Key： WNEOWEAJYKIOLA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C)C=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 406.19338
- Monoisotopic Mass: 406.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 553
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 7.7
Experimental Properties
- Density: 1.092
- Boiling Point: 499.3°C at 760 mmHg
- Flash Point: 177.6°C
- Refractive Index: 1.592
- PSA: 26.3
- LogP: 7.48110
[1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
76331-32-3 ([1,1':2',1''-Terphenyl]-4'-carboxylicacid, 3',6'-dimethyl-5'-phenyl-, ethyl ester (9CI)) Related Products
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