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Also known as: 108-22-5, Prop-1-en-2-yl acetate, 1-methylvinyl acetate, 2-acetoxypropene, 2-acetoxypropylene, Methylvinyl acetate
Molecular Formula
C5H8O2
Molecular Weight
100.12  g/mol
InChI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
FDA UNII
4AR9LAS337

CAS 108-22-5
1 2D Structure

CAS 108-22-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
prop-1-en-2-yl acetate
2.1.2 InChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
2.1.3 InChI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=C)OC(=O)C
2.2 Other Identifiers
2.2.1 UNII
4AR9LAS337
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 108-22-5

2. Prop-1-en-2-yl Acetate

3. 1-methylvinyl Acetate

4. 2-acetoxypropene

5. 2-acetoxypropylene

6. Methylvinyl Acetate

7. Propen-2-yl Acetate

8. 1-propen-2-ol, Acetate

9. Acetic Acid Isopropenyl Ester

10. 1-propen-2-yl Acetate

11. 1-acetoxy-1-methylethylene

12. Acetic Acid, Isopropenyl Ester

13. Nsc 2197

14. 1-propen-2-ol, 2-acetate

15. Isopropenylester Kyseliny Octove

16. 4ar9las337

17. Dtxsid3031492

18. Acetic Acid 1-methylethenyl Ester

19. Nsc-2197

20. Acetic Acid,isopropenyl Ester

21. Isopropenyl Acetate, 99%

22. Dtxcid1011492

23. Wln: 1voy1 & U1

24. Cas-108-22-5

25. Ccris 6537

26. 2-acetoxy-1-propene

27. Hsdb 5383

28. Einecs 203-562-7

29. Un2403

30. Acetone-enol Acetate

31. 1-propen-2-ol 2-acetate

32. Brn 1280347

33. Unii-4ar9las337

34. Isopropenylester Kyseliny Octove [czech]

35. Ai3-17634

36. Mfcd00008709

37. Ec 203-562-7

38. Schembl24573

39. 4-02-00-00179 (beilstein Handbook Reference)

40. Chembl1385681

41. Fema No. 4152

42. Isopropenyl Acetate [mi]

43. Nsc2197

44. Nsc8262

45. Chebi:173340

46. Nsc-8262

47. Tox21_201748

48. Tox21_303350

49. Akos000121059

50. Un 2403

51. Isopropenyl Acetate, Analytical Standard

52. 1-propen-2-ol, Acetate [hsdb]

53. Ncgc00091671-01

54. Ncgc00091671-02

55. Ncgc00257444-01

56. Ncgc00259297-01

57. Ls-13048

58. A0035

59. En300-15380

60. Isopropenyl Acetate [un2403] [flammable Liquid]

61. J-002076

62. J-521561

63. Q27259352

64. F0001-0160

65. Inchi=1/c5h8o2/c1-4(2)7-5(3)6/h1h2,2-3h

66. Isopropenyl Acetate, Produced By Wacker Chemie Ag, Burghausen, Germany, >=99.0% (gc)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 100.12 g/mol
Molecular Formula C5H8O2
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26.3
Heavy Atom Count7
Formal Charge0
Complexity94.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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