Cas no 20279-49-6 (Pentanoic acid, 4-oxo-,pentyl ester)
20279-49-6 structure
Product Name:Pentanoic acid, 4-oxo-,pentyl ester
CAS No:20279-49-6
MF:C10H18O3
MW:186.248123645782
CID:266529
PubChem ID:88453
Update Time:2025-04-19
Pentanoic acid, 4-oxo-,pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 4-oxo-,pentyl ester
- Levulinic acid, pentyl ester
- n-Amyl levulinate
- Pentyl 4-oxopentanoate
- pentyl 4-oxovalerate
- Pentyl levulinate
- SCHEMBL875181
- DTXSID20174131
- Pentanoic acid, 4-oxo-, pentyl ester
- 20279-49-6
- 4-oxo-pentanoic acid pentyl ester
- AKOS006273668
- Q63398011
- NS00026568
- Lavulinsaure-amylester
- EINECS 243-675-9
-
- Inchi： 1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3
- InChI Key： NLDFWNCRMVSDMC-UHFFFAOYSA-N
- SMILES： O(C(CCC(C)=O)=O)CCCCC
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 164
- 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: 43.4A^2
- XLogP3: 1.5
Experimental Properties
- Density: 0.959
- Boiling Point: 259 °C at 760 mmHg
- Flash Point: 107.2 °C
- Refractive Index: 1.43
- PSA: 43.37
- LogP: 2.08900
Pentanoic acid, 4-oxo-,pentyl ester Related Literature
-
Dongil Ho,Jeongyeon Lee,Sangyun Park,Yonghan Park,Kwanghee Cho,Filippo Campana,Daniela Lanari,Antonio Facchetti,SungYong Seo,Choongik Kim,Assunta Marrocchi,Luigi Vaccaro J. Mater. Chem. C 2020 8 5786
20279-49-6 (Pentanoic acid, 4-oxo-,pentyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-50-0(Diethyl 3-oxopentanedioate)
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
- 123-95-5(Butyl stearate)
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