CAS 59278-00-1

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Also known as: 59278-00-1, (2-acetoxyethoxy)methyl acetate, 2-oxa-1,4-butanediol diacetate, 1,4-diacetoxy-2-oxabutane, 2-(acetyloxymethoxy)ethyl acetate, (2-acetoxyethoxy)methylacetate

Molecular Formula

C₇H₁₂O₅

Molecular Weight

176.17 g/mol

InChI Key

XFEQOLXBMLXKDE-UHFFFAOYSA-N

1 2D Structure

CAS 59278-00-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(acetyloxymethoxy)ethyl acetate

2.1.2 InChI

InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3

2.1.3 InChI Key

XFEQOLXBMLXKDE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCCOCOC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 59278-00-1

2. (2-acetoxyethoxy)methyl Acetate

3. 2-oxa-1,4-butanediol Diacetate

4. 1,4-diacetoxy-2-oxabutane

5. 2-(acetyloxymethoxy)ethyl Acetate

6. (2-acetoxyethoxy)methylacetate

7. 2-((acetyloxy)methoxy)ethyl Acetate

8. [2-(acetyloxy)ethoxy]methyl Acetate

9. 2-acetoxyethyl Acetoxymethyl Ether

10. Einecs 261-686-7

11. Mfcd09031327

12. 2-oxa-1,4-butanedioldiacetate-3,3,4,4-d4

13. 2-oxo-1,4-butanediol Diacetate

14. Acetoxyethyl Acetoxymethyl Ether

15. Schembl5198837

16. 1-acetoxy-2-acetoxymethoxyethane

17. Dtxsid40207995

18. Bcp14323

19. Akos006290330

20. Ac-8419

21. Sb67336

22. 2-oxabutane-1,4-diol Diacetate

23. As-12667

24. Sy067145

25. Acetic Acid (2-acetoxyethoxy)methyl Ester

26. Cs-0031363

27. Etanol, 2-[(acetiloxi)metoxi]-, 1-acetato

28. Ft-0673317

29. Ft-0691821

30. En300-252043

31. A869234

32. W-111168

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂O₅
Molecular Weight	176.17 g/mol
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	61.8
Heavy Atom Count	12
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1