Cas no 61167-53-1 (Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester)
![Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester structure](https://ossimg.kuujia.com/scimg/61500/61167-53-1x500.png)
61167-53-1 structure
Product Name:Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester
CAS No:61167-53-1
MF:C21H42O4
MW:358.555787563324
CID:489955
PubChem ID:71398722
Update Time:2025-04-19
Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester
- [3-(2-ethylhexoxy)-2-hydroxypropyl] 2,2-dimethyloctanoate
- 61167-53-1
- DTXSID10820130
- 3-[(2-ETHYLHEXYL)OXY]-2-HYDROXYPROPYL 2,2-DIMETHYLOCTANOATE
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- Inchi： 1S/C21H42O4/c1-6-9-11-12-14-21(4,5)20(23)25-17-19(22)16-24-15-18(8-3)13-10-7-2/h18-19,22H,6-17H2,1-5H3
- InChI Key： IHTXZTPXGFMHKK-UHFFFAOYSA-N
- SMILES： O(CC(COC(C(C)(C)CCCCCC)=O)O)CC(CC)CCCC
Computed Properties
- Exact Mass: 358.30846
- Monoisotopic Mass: 358.30830982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 17
- Complexity: 328
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Octanoic acid, 2,2-dimethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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