Cas no 640729-52-8 (Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester)
640729-52-8 structure
Product Name:Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester
CAS No:640729-52-8
MF:C13H22O5
MW:258.310784816742
CID:1665624
Update Time:2024-09-03
Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
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- Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester
- Pentanedioic acid, 2-hexyl-3-oxo-, 1,5-dimethyl ester
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- Inchi: 1S/C13H22O5/c1-4-5-6-7-8-10(13(16)18-3)11(14)9-12(15)17-2/h10H,4-9H2,1-3H3
- InChI Key: XSVLZFZRRCCMGH-UHFFFAOYSA-N
- SMILES: C(OC)(=O)C(CCCCCC)C(=O)CC(OC)=O
Computed Properties
- Exact Mass: 258.14676
Experimental Properties
- Density: 1.043±0.06 g/cm3(Predicted)
- Boiling Point: 319.3±17.0 °C(Predicted)
- PSA: 69.67
- pka: 9.92±0.46(Predicted)
Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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