Cas no 89579-47-5 (Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester)
89579-47-5 structure
Product Name:Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester
CAS No:89579-47-5
MF:C25H50O2
MW:382.663308620453
CID:595758
PubChem ID:71325053
Update Time:2025-04-19
Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester
- methyl 2-butyl-2-hexyltetradecanoate
- 89579-47-5
- DTXSID20754452
-
- Inchi： 1S/C25H50O2/c1-5-8-11-13-14-15-16-17-18-20-23-25(21-10-7-3,24(26)27-4)22-19-12-9-6-2/h5-23H2,1-4H3
- InChI Key： SAYABDDOJRPBAU-UHFFFAOYSA-N
- SMILES： O(C)C(C(CCCC)(CCCCCC)CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 382.381080833g/mol
- Monoisotopic Mass: 382.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 21
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.3
- Topological Polar Surface Area: 26.3?2
Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
89579-47-5 (Tetradecanoic acid, 2-butyl-2-hexyl-, methyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 2177-77-7(Methyl 2-methylvalerate)
- 29412-62-2(dimethyl cubane-1,4-dicarboxylate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 868-57-5(DL-2-Methylbutyric Acid Methyl Ester)
- 32980-26-0(4-Methoxy-3,3-dimethyl-4-oxobutanoic acid)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 4630-80-2(Methyl cyclopentanecarboxylate)
- 597-71-7(Pentaerythritol tetraacetate)
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