Cas no 28267-30-3 (Tridecanoic acid,1-methylethyl ester)
28267-30-3 structure
Product Name:Tridecanoic acid,1-methylethyl ester
CAS No:28267-30-3
MF:C16H32O2
MW:256.424085617065
CID:267735
PubChem ID:119909
Update Time:2025-04-19
Tridecanoic acid,1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid,1-methylethyl ester
- propan-2-yl tridecanoate
- Isopropyl tridecanoate
- 1-METHYLETHYL TRIDECANOATE
- SCHEMBL13044433
- NS00021986
- JT3PFZ8UXH
- 28267-30-3
- UNII-JT3PFZ8UXH
- DTXSID20182514
- EINECS 248-930-8
-
- Inchi： 1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-16(17)18-15(2)3/h15H,4-14H2,1-3H3
- InChI Key： CZYGEVQQOCNIML-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 256.24036
- Monoisotopic Mass: 256.24023
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 188
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 6.6
Experimental Properties
- Density: 0.864
- Boiling Point: 296.8°Cat760mmHg
- Flash Point: 134.7°C
- Refractive Index: 1.438
- PSA: 26.3
Tridecanoic acid,1-methylethyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
28267-30-3 (Tridecanoic acid,1-methylethyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 104-61-0(rac-γ-Nonanolactone)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 123-29-5(Ethyl nonanoate)
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