Cas no 67429-12-3 (2-Oxa-1,4-butanediol diacetate)
67429-12-3 structure
Product Name:2-Oxa-1,4-butanediol diacetate
2-Oxa-1,4-butanediol diacetate Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxa-1,4-butanediol diacetate
- 2-Oxo-1,4-Butanediol Diacetate
- MFCD09031327
- 67429-12-3
- W-111168
- 2-((Acetyloxy)methoxy)ethyl acetate
- EN300-252043
- acetoxyethyl acetoxymethyl ether
- FT-0673317
- (2-Acetoxyethoxy)methylacetate
- NS00022460
- 2-[(Acetyloxy)methoxy]ethyl acetate
- SB67336
- AS-12667
- 2-Oxa-1,4-butanedioldiacetate-3,3,4,4-d4
- AKOS006290330
- [2-(ACETYLOXY)ETHOXY]METHYL ACETATE
- SY067145
- A869234
- DTXSID40207995
- 59278-00-1
- SCHEMBL5198837
- 2-(acetyloxymethoxy)ethyl acetate
- CS-0031363
- EINECS 261-686-7
- (2-acetoxyethoxy)methyl acetate
- BCP14323
- Acetic Acid (2-Acetoxyethoxy)methyl Ester
- FT-0691821
- 2-Acetoxyethyl acetoxymethyl ether
- AC-8419
- 1-acetoxy-2-acetoxymethoxyethane
- 1,4-diacetoxy-2-oxabutane
- XFEQOLXBMLXKDE-UHFFFAOYSA-N
-
- Inchi： 1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3
- InChI Key： XFEQOLXBMLXKDE-UHFFFAOYSA-N
- SMILES： O(COC(C)=O)CCOC(C)=O
Computed Properties
- Exact Mass: 176.06846
- Monoisotopic Mass: 176.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 154
- 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: 61.8A^2
- XLogP3: 0
Experimental Properties
- Color/Form: 透明無(wú)色或淡黃色 液體
- Density: 1.119 g/cm3 (預(yù)測(cè)值)
- Boiling Point: 225.2oC at 760 mmHg (預(yù)測(cè)值)
- Flash Point: 90.9 °C
- Refractive Index: 1.419
- PSA: 61.83
- LogP: 0.08670
2-Oxa-1,4-butanediol diacetate Related Literature
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
67429-12-3 (2-Oxa-1,4-butanediol diacetate) Related Products
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