Cas no 5463-69-4 (1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI))
![1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI) structure](https://ossimg.kuujia.com/scimg/5500/5463-69-4x500.png)
5463-69-4 structure
Product Name:1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI)
CAS No:5463-69-4
MF:C17H26O12
MW:422.381146907806
CID:387057
PubChem ID:225513
Update Time:2025-04-19
1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI)
- [5,6-bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methy l acetate
- 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
- 1,6-diacetyl-3,4-di-(acetoxymethyl)-2,5-O-methylene-D-mannitol
- 1,6-Di-O-acetyl-3,4-bis-O-(acetoxymethyl)-2,5-O-methylene-D-mannitol
- O3,O4-Bis-acetoxymethyl-O1,O6-diacetyl-O2,O5-methandiyl-D-mannit
- O3,O4-bis-acetoxymethyl-O1,O6-diacetyl-O2,O5-methanediyl-D-mannitol
- NSC-226060
- DTXSID40279990
- 18311-52-9
- 1,6-Di-O-acetyl-3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylidenehexitol
- ({6-[(acetyloxy)methoxy]-4,7-bis[(acetyloxy)methyl]-1,3-dioxepan-5-yl}oxy)methyl acetate(non-preferred name)
- 5463-69-4
- NSC-15025
- NSC226060
- 1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate(9ci)
- DTXSID40969905
- NSC15025
-
- Inchi： 1S/C17H26O12/c1-10(18)22-5-14-16(28-7-24-12(3)20)17(29-8-25-13(4)21)15(27-9-26-14)6-23-11(2)19/h14-17H,5-9H2,1-4H3
- InChI Key： MAZKRBGBNOYUSO-UHFFFAOYSA-N
- SMILES： O1COC(COC(C)=O)C(C(C1COC(C)=O)OCOC(C)=O)OCOC(C)=O
Computed Properties
- Exact Mass: 284.16242
- Monoisotopic Mass: 422.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 29
- Rotatable Bond Count: 14
- Complexity: 515
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 142?2
Experimental Properties
- Density: 1.28
- Boiling Point: 502.2°Cat760mmHg
- Flash Point: 217.6°C
- Refractive Index: 1.477
- PSA: 57.15
- LogP: -0.33430
1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate (9CI) Related Literature
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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