60456-26-0

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 2 Related Intermediates

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1 End Use APIs
2 Related Intermediates

Chemistry

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Also known as: 60456-26-0, (r)-(-)-glycidyl butyrate, (r)-oxiran-2-ylmethyl butyrate, [(2r)-oxiran-2-yl]methyl butanoate, (r)-glycicyl butanoate, (r)-4-glycidyl butyrate

Molecular Formula

C₇H₁₂O₃

Molecular Weight

144.17 g/mol

InChI Key

YLNSNVGRSIOCEU-ZCFIWIBFSA-N

1 2D Structure

60456-26-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-oxiran-2-yl]methyl butanoate

2.1.2 InChI

InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m1/s1

2.1.3 InChI Key

YLNSNVGRSIOCEU-ZCFIWIBFSA-N

2.1.4 Canonical SMILES

CCCC(=O)OCC1CO1

2.1.5 Isomeric SMILES

CCCC(=O)OC[C@H]1CO1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60456-26-0

2. (r)-(-)-glycidyl Butyrate

3. (r)-oxiran-2-ylmethyl Butyrate

4. [(2r)-oxiran-2-yl]methyl Butanoate

5. (r)-glycicyl Butanoate

6. (r)-4-glycidyl Butyrate

7. (r)-glycidylbutyrate

8. Mfcd00075120

9. (2r)-2-oxiranylmethyl Ester Butanoic Acid

10. Butanoic Acid, (2r)-oxiranylmethyl Ester

11. Butyric Acid (r)-glycidyl Ester

12. R-glycidyl Butyrate

13. (r)glycidylbutyrate

14. (r)-(-)-glycidylbutyrate

15. Schembl78535

16. (-)-(r)-glycidyl Butyrate

17. (r)--(-)-glycidylbutyrate

18. (r)-(-) Glycidyl Butyrate

19. (oxiran-2-yl)methyl Butanoate

20. Dtxsid80975863

21. (2r)-oxiran-2-ylmethyl Butyrate

22. Ylnsnvgrsioceu-zcfiwibfsa-n

23. Amy21880

24. Butanoic Acid, Oxiranylmethyl Ester, (r)-; (-)-glycidyl Butyrate; (2r)-(-)-glycidyl Butyrate

25. Cs-d1790

26. (r)-(-)-glycidyl Butyrate, 96%

27. Akos015842904

28. (2r)-3-butanoyloxy-1,2-epoxypropane

29. Ac-7029

30. Cs-w002318

31. As-11776

32. G0282

33. J-502516

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂O₃
Molecular Weight	144.17 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.8
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1