Cas no 108134-05-0 (Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester)
![Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester structure](https://ossimg.kuujia.com/scimg/108500/108134-05-0x500.png)
108134-05-0 structure
Product Name:Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester
CAS No:108134-05-0
MF:C30H44O4
MW:468.667969703674
CID:1184858
PubChem ID:4347801
Update Time:2025-04-20
Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester
- [4-(4-methylhexoxy)phenyl] 4-decoxybenzoate
- 108134-05-0
- SCHEMBL8018837
- DTXSID20402204
-
- Inchi： 1S/C30H44O4/c1-4-6-7-8-9-10-11-12-23-32-27-17-15-26(16-18-27)30(31)34-29-21-19-28(20-22-29)33-24-13-14-25(3)5-2/h15-22,25H,4-14,23-24H2,1-3H3
- InChI Key： GOPHHFVBBUJHNY-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC(C1C=CC(=CC=1)OCCCCCCCCCC)=O)CCCC(C)CC
Computed Properties
- Exact Mass: 468.32412
- Monoisotopic Mass: 468.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 19
- Complexity: 492
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.8A^2
- XLogP3: 10.4
Experimental Properties
- PSA: 44.76
- LogP: 8.63040
Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
108134-05-0 (Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester) Related Products
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