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Chemistry

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Also known as: 2-(2-hydroxypropoxy)-1-propanol, 106-62-7, 25322-69-4, 1-propanol, 2-(2-hydroxypropoxy)-, Polyoxypropylene glycol, 2-(2-hydroxypropoxy)propanol

Molecular Formula

C₆H₁₄O₃

Molecular Weight

134.17 g/mol

InChI Key

DUFKCOQISQKSAV-UHFFFAOYSA-N

FDA UNII

WNY0H4G53Q

1 2D Structure

Polypropylene Glycol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-hydroxypropoxy)propan-1-ol

2.1.2 InChI

InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3

2.1.3 InChI Key

DUFKCOQISQKSAV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CO)OCC(C)O

2.2 Other Identifiers

2.2.1 UNII

WNY0H4G53Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(2-hydroxypropoxy)-1-propanol

2.3.2 Depositor-Supplied Synonyms

1. 2-(2-hydroxypropoxy)-1-propanol

2. 106-62-7

3. 25322-69-4

4. 1-propanol, 2-(2-hydroxypropoxy)-

5. Polyoxypropylene Glycol

6. 2-(2-hydroxypropoxy)propanol

7. Methyloxirane Homopolymer

8. Alpha-hydro-omega-hydroxypoly(oxypropylene)

9. Polypropylene Glycol (m W 1,200-3,000)

10. Wny0h4g53q

11. Polyoxypropylene

12. Emkapyl

13. Lineartop E

14. Niax Ppg

15. Desmophen 360c

16. Polyglycol P 400

17. Niax Ppg 425

18. Jeffox Ppg 400

19. Polyglycol P-2000

20. Polyglycol P-4000

21. Voranol P 1010

22. Laprol 2002

23. Niax Ppg 1025

24. Niax Ppg 3025

25. Polyglycol Type P250

26. Polyglycol Type P400

27. Polyglycol Type P750

28. Napter E 8075

29. Niax Polyol Ppg 4025

30. Polyglycol Type P1200

31. Polyglycol Type P2000

32. Polyglycol Type P3000

33. Propylene Oxide Homopolymer

34. Laprol 702

35. Poly(propylene Glycol)

36. Unii-wny0h4g53q

37. Propylene Oxide, Propylene Glycol Polymer

38. Polypropylene Oxide

39. Poly(propylene Glycol) Macromolecule

40. Einecs 203-416-2

41. Poly Propylene Glycol

42. Alpha-hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))

43. Ppg?

44. Schembl15111

45. Chebi:53262

46. Dtxsid30861722

47. 2-methyl-3-oxahexane-1,5-diol

48. Chebi:179442

49. Akos015899603

50. Bs-23535

51. Ft-0696553

52. F71159

53. 106h627

54. Alpha-hydro-omega-hydroxypoly[oxy(1-methylethylene)]

55. Q26863457

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄O₃
Molecular Weight	134.17 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	134.094294304 g/mol
Monoisotopic Mass	134.094294304 g/mol
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

3. 3 = moderately toxic: probable oral lethal dose (human) 0.5-5 g/kg, between 1 oz and 1 pint (or 1 lb) for 70 kg person (150 lb).

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-120

5 Pharmacology and Biochemistry

5.1 Absorption, Distribution and Excretion

Lower mol wt /PPG's (200-1200) ... are absorbed through the skin to some extent, /but/ skin penetration ... not ... serious industrial hazard ... These ... are not like low mol wt polyethylene glycols in their physiologic activity; they are rapidly absorbed from the GI tract ...

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1523

Acute skin absorption tests ... have indicated that the materials are all poorly absorbed through the skin.

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1525

/Male rats maintained for 100 days on diet containing 1.0% of P750/ ... postulated that material is readily metabolized or eliminated when absorbed in small doses; this probably accounts for its lack of apparent physiological effect.

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1525

Drugs in Development