Cas no 15786-00-2 (1,4-Benzenedicarboxylic acid, monooctyl ester)
15786-00-2 structure
Product Name:1,4-Benzenedicarboxylic acid, monooctyl ester
CAS No:15786-00-2
MF:C16H21O4
MW:277.335545301437
CID:1335574
PubChem ID:23050544
Update Time:2025-04-20
1,4-Benzenedicarboxylic acid, monooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, monooctyl ester
- 4-octoxycarbonylbenzoate
- 15786-00-2
- 4-[(Octyloxy)carbonyl]benzoate
- DTXSID20630060
-
- Inchi： 1S/C16H22O4/c1-2-3-4-5-6-7-12-20-16(19)14-10-8-13(9-11-14)15(17)18/h8-11H,2-7,12H2,1H3,(H,17,18)/p-1
- InChI Key： DVIQCYKDAVBCKR-UHFFFAOYSA-M
- SMILES： O(C(C1C=CC(C(=O)[O-])=CC=1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 277.14398415g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 287
- 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: 5.9
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 63.6
1,4-Benzenedicarboxylic acid, monooctyl ester Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
15786-00-2 (1,4-Benzenedicarboxylic acid, monooctyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 1962-75-0(1,4-dibutyl benzene-1,4-dicarboxylate)
- 3126-90-7(Dibutyl isophthalate)
- 6422-86-2(Dioctyl Terepthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
Recommended suppliers
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
