Cas no 54580-47-1 (diethyl tetradecylpropanedioate)
54580-47-1 structure
Product Name:diethyl tetradecylpropanedioate
CAS No:54580-47-1
MF:C21H40O4
MW:356.539907455444
CID:2627308
PubChem ID:252353
Update Time:2025-04-21
diethyl tetradecylpropanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl tetradecylpropanedioate
- Diethyl 2-tetradecylmalonate; Tetradecyl-malonsaeurediethylester; NCIOpen2_003937; 1,1-Pentadecandicarbonsaeure; Malonic acid, tetradecyl-; tetradecyl-malonic acid diethyl ester; AC1L3CFV; NSC74089; tetradecyl-malonic acid; Tetradecylpropanedioic Acid; 2-tetradecylmalonic acid; diethyl 2-tetradecylmalonate; ethyl 2-(ethoxycarbonyl)hexadecanoate; Tetradecyl-malonsaeure-diaethylester; 2-Tetradecylmalonic acid; TETRADECYLMALONIC ACID; Tetr
- 54580-47-1
- CHEMBL1797712
- NSC74102
- NSC-74102
- DTXSID30969833
- Diethyl-2-Tetradecylmalonate
- NCIOpen2_008900
- SCHEMBL10017368
- DIETHYL TETRADECYLMALONATE
-
- Inchi： 1S/C21H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)24-5-2)21(23)25-6-3/h19H,4-18H2,1-3H3
- InChI Key： GESHRHVYCSRGQP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 356.2928
- Monoisotopic Mass: 356.293
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 19
- Complexity: 310
- 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: 8.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.932
- Boiling Point: 378.8°C at 760 mmHg
- Flash Point: 168.4°C
- Refractive Index: 1.45
- PSA: 52.6
- LogP: 5.82000
diethyl tetradecylpropanedioate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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