Cas no 51281-35-7 (1,2,4-Benzenetricarboxylic acid, butyl ester)
51281-35-7 structure
Product Name:1,2,4-Benzenetricarboxylic acid, butyl ester
CAS No:51281-35-7
MF:C13H14O6
MW:266.246664524078
CID:387007
PubChem ID:120091
Update Time:2025-04-19
1,2,4-Benzenetricarboxylic acid, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, butyl ester
- EINECS 249-301-0
- DTXSID701021084
- 4-(Butoxycarbonyl)isophthalic acid
- 51281-35-7
- SCHEMBL4138132
- NS00051092
- 1,2,4-Benzenetricarboxylic acid, monobutyl ester
- 91910-95-1
- EINECS 257-105-1
- 28904-29-2
-
- Inchi： 1S/C13H14O6/c1-2-3-6-19-13(18)9-5-4-8(11(14)15)7-10(9)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)
- InChI Key： GCDUOFOLOZOBSV-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=O)O)=CC=1C(=O)O)=O)CCCC
Computed Properties
- Exact Mass: 264.06336
- Monoisotopic Mass: 264.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 340
- 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: 107A^2
- XLogP3: 2.1
Experimental Properties
- Density: 1.318
- Boiling Point: 480.8°Cat760mmHg
- Flash Point: 184.1°C
- PSA: 106.56
1,2,4-Benzenetricarboxylic acid, butyl ester Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
51281-35-7 (1,2,4-Benzenetricarboxylic acid, butyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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