CAS 108-22-5

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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

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 Formula	C₅H₈O₂
Molecular Weight	100.12 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	7
Formal Charge	0
Complexity	94.3
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