Cas no 139108-78-4 (4H-Pyran-4-one, 5-(heptyloxy)-2-(hydroxymethyl)-)
139108-78-4 structure
Product Name:4H-Pyran-4-one, 5-(heptyloxy)-2-(hydroxymethyl)-
CAS No:139108-78-4
MF:C13H20O4
MW:240.295504570007
CID:1260209
Update Time:2024-08-03
4H-Pyran-4-one, 5-(heptyloxy)-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- 4H-Pyran-4-one, 5-(heptyloxy)-2-(hydroxymethyl)-
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- Inchi： 1S/C13H20O4/c1-2-3-4-5-6-7-16-13-10-17-11(9-14)8-12(13)15/h8,10,14H,2-7,9H2,1H3
- InChI Key： CCIDKAHWRLFUNL-UHFFFAOYSA-N
- SMILES： C1(CO)OC=C(OCCCCCCC)C(=O)C=1
Computed Properties
- Exact Mass: 240.1362
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 421.2±45.0 °C(Predicted)
- PSA: 55.76
- pka: 14.83±0.10(Predicted)
4H-Pyran-4-one, 5-(heptyloxy)-2-(hydroxymethyl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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