Cas no 19150-71-1 (Butanoic acid, 3-oxo-,octadecyl ester)
19150-71-1 structure
Product Name:Butanoic acid, 3-oxo-,octadecyl ester
CAS No:19150-71-1
MF:C22H42O3
MW:354.567087650299
CID:140641
PubChem ID:87943
Update Time:2025-04-19
Butanoic acid, 3-oxo-,octadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-,octadecyl ester
- octadecyl 3-oxobutanoate
- octadecyl acetoacetate
- AI3-02542
- NSC406330
- 3-Benzoyl-4-hydroxycouMarin
- Acetoacetic acid octadecyl ester
- 3-Oxobutanoic acid octadecyl ester
- NSC-406330
- NS00026246
- Butanoic acid, 3-oxo-, octadecyl ester
- n-octadecyl acetoacetate
- SCHEMBL1325282
- EINECS 242-844-4
- NSC 406330
- DTXSID80172678
- 19150-71-1
-
- Inchi： 1S/C22H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23/h3-20H2,1-2H3
- InChI Key： BMOMBHKAYGMGCR-UHFFFAOYSA-N
- SMILES： O(C(CC(C)=O)=O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 354.31356
- Monoisotopic Mass: 354.31339520g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 20
- Complexity: 312
- 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: 8.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Butanoic acid, 3-oxo-,octadecyl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
19150-71-1 (Butanoic acid, 3-oxo-,octadecyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 13984-57-1(Ethyl 5-oxohexanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 539-88-8(Ethyl levulinate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
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