Cas no 31218-69-6 (1,6-Dioxecane-2,5-dione)
1,6-Dioxecane-2,5-dione structure
Product Name:1,6-Dioxecane-2,5-dione
CAS No:31218-69-6
MF:C8H12O4
MW:172.178483009338
CID:323386
PubChem ID:4581094
Update Time:2025-04-19
1,6-Dioxecane-2,5-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Dioxecane-2,5-dione
- AKOS006272587
- butylene succinate
- NS00029038
- SCHEMBL45714
- EINECS 250-516-7
- 31218-69-6
- DTXSID40185143
- ZMKVBUOZONDYBW-UHFFFAOYSA-N
- DTXCID50107634
-
- Inchi： 1S/C8H12O4/c9-7-3-4-8(10)12-6-2-1-5-11-7/h1-6H2
- InChI Key： ZMKVBUOZONDYBW-UHFFFAOYSA-N
- SMILES： O1C(CCC(=O)OCCCC1)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 156
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 0.4
Experimental Properties
- Density: 1.129
- Boiling Point: 408.5 °C at 760 mmHg
- Flash Point: 220.7 °C
- Refractive Index: 1.442
- PSA: 52.6
1,6-Dioxecane-2,5-dione Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
31218-69-6 (1,6-Dioxecane-2,5-dione) Related Products
- 110-38-3(Ethyl decanoate)
- 106-65-0(Dimethyl succinate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-95-3(1,4-Dioxacycloheptadecane-5,17-dione)
- 109-43-3(dibutyl sebacate)
- 108-30-5(Succinic anhydride)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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