Cas no 119450-13-4 (4-o-benzyl 1-o-pentyl Butanedioate)
119450-13-4 structure
Product Name:4-o-benzyl 1-o-pentyl Butanedioate
CAS No:119450-13-4
MF:C16H22O4
MW:278.343485355377
CID:1209057
PubChem ID:528267
Update Time:2025-04-20
4-o-benzyl 1-o-pentyl Butanedioate Chemical and Physical Properties
Names and Identifiers
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- 4-o-benzyl 1-o-pentyl Butanedioate
- Pentyl benzyl succinate
- 1-Benzyl 4-pentyl succinate
- Butanedioic acid, pentyl phenylmethyl ester
- AC1LB2WW
- CTK4B1300
- AG-D-42393
- Pentyl benzyl succinate; 1-Benzyl 4-pentyl succinate; Butanedioic acid, pentyl phenylmethyl ester; AC1LB2WW; CTK4B1300; AG-D-42393;
- GVUYTZKKCMNYGB-UHFFFAOYSA-N
- SCHEMBL16344694
- 119450-13-4
- DTXSID10335991
- 1-Benzyl 4-pentyl succinate #
-
- Inchi： 1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
- InChI Key： GVUYTZKKCMNYGB-UHFFFAOYSA-N
- SMILES： O(C(CCC(=O)OCC1C=CC=CC=1)=O)CCCCC
Computed Properties
- Exact Mass: 278.15180918g/mol
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 282
- 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: 3.2
- Topological Polar Surface Area: 52.6?2
4-o-benzyl 1-o-pentyl Butanedioate Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
119450-13-4 (4-o-benzyl 1-o-pentyl Butanedioate) Related Products
- 103-40-2(Succinic Acid Monobenzyl Ester)
- 140-24-9(Dibenzyl sebacate)
- 31161-71-4(Tetradecanoic acid,phenylmethyl ester)
- 103-43-5(dibenzyl succinate)
- 5396-89-4(Benzyl acetoacetate)
- 103-38-8(Benzyl isovalerate FCC)
- 103-37-7(Benzyl butyrate)
- 3089-55-2(Benzyl octyl adipate)
- 2451-84-5(Dibenzyl adipate)
- 189625-51-2(Octadecanedioic acid,1-(phenylmethyl) ester)
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