Cas no 63799-58-6 (2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate)
![2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate structure](https://ossimg.kuujia.com/scimg/64000/63799-58-6x500.png)
63799-58-6 structure
Product Name:2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate
CAS No:63799-58-6
MF:C23H44O5
MW:400.592468261719
CID:1658089
PubChem ID:3085273
Update Time:2025-04-21
2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate Chemical and Physical Properties
Names and Identifiers
-
- 2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate
- (1-ethoxy-3-octanoyloxypropan-2-yl) decanoate
- 63799-58-6
- 1-Ethoxy-3-(octanoyloxy)propan-2-yl decanoate
- DTXSID70980365
-
- Inchi： 1S/C23H44O5/c1-4-7-9-11-12-14-16-18-23(25)28-21(19-26-6-3)20-27-22(24)17-15-13-10-8-5-2/h21H,4-20H2,1-3H3
- InChI Key： BGCXVQRQQRNOAQ-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCC)=O)C(COCC)COC(CCCCCCC)=O
Computed Properties
- Exact Mass: 400.31902
- Monoisotopic Mass: 400.319
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 22
- Complexity: 370
- 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
- XLogP3: 7.4
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- Density: 0.949
- Boiling Point: 471°C at 760 mmHg
- Flash Point: 197.4°C
- Refractive Index: 1.452
- PSA: 61.83
2-ethoxy-1-[(octanoyloxy)methyl]ethyl decanoate Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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