Cas no 119450-18-9 (Butanedioic acid, decyl phenylmethyl ester)
119450-18-9 structure
Product Name:Butanedioic acid, decyl phenylmethyl ester
CAS No:119450-18-9
MF:C21H32O4
MW:348.476387023926
CID:1211906
PubChem ID:528260
Update Time:2025-04-20
Butanedioic acid, decyl phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, decyl phenylmethyl ester
- 4-O-benzyl 1-O-decyl butanedioate
- SCHEMBL15203975
- NMPJZUHKNJYKSJ-UHFFFAOYSA-N
- DTXSID40335984
- Decyl benzyl succinate
- 1-Benzyl 4-decyl succinate
- 119450-18-9
- 1-Benzyl 4-decyl succinate #
-
- Inchi： 1S/C21H32O4/c1-2-3-4-5-6-7-8-12-17-24-20(22)15-16-21(23)25-18-19-13-10-9-11-14-19/h9-11,13-14H,2-8,12,15-18H2,1H3
- InChI Key： NMPJZUHKNJYKSJ-UHFFFAOYSA-N
- SMILES： O(C(CCC(=O)OCC1C=CC=CC=1)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 348.23016
- Monoisotopic Mass: 348.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 16
- Complexity: 348
- 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: 5.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, decyl phenylmethyl ester Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
119450-18-9 (Butanedioic acid, decyl phenylmethyl ester) Related Products
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- 31161-71-4(Tetradecanoic acid,phenylmethyl ester)
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- 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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