Cas no 72812-41-0 (Tetradecanoic acid,isooctyl ester)
72812-41-0 structure
Product Name:Tetradecanoic acid,isooctyl ester
CAS No:72812-41-0
MF:C22H44O2
MW:340.583567619324
CID:572487
PubChem ID:175177
Update Time:2025-04-19
Tetradecanoic acid,isooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,isooctyl ester
- isooctyl myristate
- 6-methylheptyl tetradecanoate
- DTXSID4072605
- EINECS 276-862-9
- Tetradecanoic acid, isooctyl ester
- 72812-41-0
- SCHEMBL1961210
- NS00037406
-
- Inchi： 1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(23)24-20-17-14-15-18-21(2)3/h21H,4-20H2,1-3H3
- InChI Key： HMRWHRBSEMHEFA-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCC)=O)CCCCCC(C)C
Computed Properties
- Exact Mass: 340.33432
- Monoisotopic Mass: 340.334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 261
- 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: 9.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.861
- Boiling Point: 381.5°C at 760 mmHg
- Flash Point: 187.7°C
- Refractive Index: 1.447
- PSA: 26.3
Tetradecanoic acid,isooctyl ester Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
72812-41-0 (Tetradecanoic acid,isooctyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 106-32-1(Ethyl n-Caprylate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 105-79-3(isobutyl caproate)
- 106-02-5(ω-Pentadecalactone)
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- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
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