Cas no 104620-07-7 (Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester)
104620-07-7 structure
Product Name:Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester
CAS No:104620-07-7
MF:C12H22O3
MW:214.301284313202
CID:1145498
Update Time:2024-07-27
Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester
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- Inchi： 1S/C12H22O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h9-10H,5-8H2,1-4H3
- InChI Key： KQAZOENAKDGJAY-UHFFFAOYSA-N
- SMILES： C(OC)(=O)CC(=O)C(CCC)CC(C)C
Computed Properties
- Exact Mass: 214.15696
Experimental Properties
- Density: 0.940±0.06 g/cm3(Predicted)
- Boiling Point: 248.7±8.0 °C(Predicted)
- PSA: 43.37
- pka: 10.49±0.46(Predicted)
Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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2. 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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
104620-07-7 (Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester) Related Products
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