1. 1-propyn-3-ol
2. 2-propyn-1-ol
3. Propargyl Alcohol, Lithium Salt
4. Propargyl Alcohol, Sodium Salt
1. Prop-2-yn-1-ol
2. 2-propyn-1-ol
3. 107-19-7
4. 2-propynyl Alcohol
5. Ethynylcarbinol
6. 1-propyn-3-ol
7. Ethynyl Carbinol
8. Methanol, Ethynyl-
9. Propynyl Alcohol
10. 2-propynol
11. 3-propynol
12. 1-hydroxy-2-propyne
13. 3-hydroxy-1-propyne
14. Acetylenylcarbinol
15. Acetylene Carbinol
16. Agrisynth Pa
17. Propiolic Alcohol
18. Rcra Waste Number P102
19. Prop-2-yne-1-ol
20. Prop-2-in-1-ol
21. Propargylalcohol
22. 1-propyn-3-yl Alcohol
23. Nsc 8804
24. Dtxsid5021883
25. Chebi:28905
26. E920vf499l
27. Nsc-8804
28. Propargyl Alcohol [na1986] [flammable Liquid]
29. 2-propyne-1-ol
30. Ccris 6781
31. Hsdb 6054
32. Einecs 203-471-2
33. Na1986
34. Rcra Waste No. P102
35. Brn 0506003
36. Ethynylmethanol
37. Unii-e920vf499l
38. Ai3-24359
39. Prop-2-ynol
40. Propyn-3-ol
41. 1-propyne-3-ol
42. 2-propyn-1 Ol
43. Mfcd00002912
44. Prop-2-yn-i-ol
45. Prop-1-yn-3-ol
46. Propargyl Alcohol, 99%
47. Bmse000363
48. Ec 203-471-2
49. Hc.$.cch2oh
50. Wln: Q2uu1
51. 4-01-00-02214 (beilstein Handbook Reference)
52. Propargyl Alcohol [mi]
53. Dtxcid301883
54. Chembl1563026
55. Propargyl Alcohol [hsdb]
56. Nsc8804
57. Tox21_200976
58. Bbl011350
59. Stl146440
60. Akos000118737
61. Na 1986
62. Ncgc00091559-01
63. Ncgc00091559-02
64. Ncgc00258529-01
65. Bp-30161
66. Cas-107-19-7
67. P0536
68. En300-19326
69. C05986
70. Inchi=1/c3h4o/c1-2-3-4/h1,4h,3h
71. Q903345
72. Q-201629
73. F0001-0140
| Molecular Weight | 56.06 g/mol |
|---|---|
| Molecular Formula | C3H4O |
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | g/mol |
| Monoisotopic Mass | g/mol |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 4 |
| Formal Charge | 0 |
| Complexity | 38.5 |
| 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 |
Propargyl alcohol is quickly distributed and excreted following an iv dose. The majority of the radioactivity ((14)C-labeled test material) was excreted in the urine and as carbon dioxide in the breath of both rats and mice. Oral dosing resulted in a similar rapid (but slower than after iv dosing) excretion pattern, with the bulk of radioactivity being excreted in the urine and exhaled carbon dioxide. Dermal absorption was low due to the volatility of propargyl alcohol. Inhalation exposure resulted in 55 to 63% absorption of inhaled propargyl alcohol at 1 or 10 ppm and only 23 to 33% absorption at 100 ppm. Both species eliminated the majority of the inhaled dose in urine.
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans for Propargyl alcohol (December 2002). Available from, as of September 07, 2006: https://cfpub.epa.gov/hpv-s/
... /Propargyl alcohol/ can be absorbed into the body by inhalation of its vapor, through the skin and by ingestion.
IPCS, CEC; International Chemical Safety Card on Propargyl alcohol. (Date of review: April 1997). Available from, as of September 07, 2006: https://www.inchem.org/documents/icsc/icsc/eics0673.htm
Male Sprague-Dawley rats were dosed orally with 40 mg/kg mixture of (1,2,3-(13)C)propargyl alcohol and (1,2-(14)C)propargyl alcohol. Approximately 60% of the dose was excreted in the urine by 96 hr ...
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 6:522
... While oxidative metabolism of low molecular weight primary alcohols is generally ... catalyzed by alcohol dehydrogenase, propargyl alcohol is a relatively poor substrate for this enzyme ... The catalase alternative pathway /was studied/. Bovine liver catalase was used, to measure the rate of oxidative bioactivation of propargyl alcohol to 2-propyn-l-al ... /It was/ found the rate to be higher than predicted ... and hypothesized that the oxidative biotransformation of propargyl alcohol to the more reactive alpha, beta-unsaturated aldehyde by liver catalase might be the initial step in propargyl alcohol induced liver injury.
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans for Propargyl alcohol (December 2002). Available from, as of September 07, 2006: https://cfpub.epa.gov/hpv-s/
Chromatographic analysis indicated that propargyl alcohol is extensively metabolized and one metabolite was identified as a glutathione conjugate. It was assumed that there are multiple glutathione conjugates across the triple bond ...
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans for Propargyl alcohol (December 2002). Available from, as of September 07, 2006: https://cfpub.epa.gov/hpv-s/
... Inactivation of catalase in isolated hepatocytes only partially inhibited the toxicity of propargyl alcohol /was shown/ ... Propargyl alcohol-induced cytotoxicity, rapid GSH depletion and reactive oxygen species (ROS) formation involves metabolic activation by cytochrome P450 rather than catalase or alcohol dehydrogenase /was demonstrated/. Using specific induction and depletion ... /it was shown/ that CYP 2E1 was the enzyme responsible for activation of propargyl alcohol to its aldehyde, 2-propyn-I-al ... /A model was proposed that/ propargyl alcohol is oxidized primarily by CYP 2E1, with a minor contribution by alcohol dehydrogenase, to 2-propyn-l-al. The aldehyde is a chemically active species that can attack vital cellular macromolecules but reacts preferentially with glutathione to form conjugates that undergo urinary excretion. An alternative pathway for the aldehyde is further enzymatic oxidation via aldehyde dehydrogenase to propiolic acid, which could be further, oxidized, conjugated and excreted, or be converted back into the aldehyde ... Depletion of glutathione and formation of ROS (reactive oxygen species), which lends support to the proposed mechanism, /was demonstrated/ ...
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans for Propargyl alcohol (December 2002). Available from, as of September 07, 2006: https://cfpub.epa.gov/hpv-s/
Male Sprague-Dawley rats were dosed orally with 40 mg/kg mixture of (1,2,3-(13)C)propargyl alcohol and (1,2-(14)C)propargyl alcohol. Approximately 60% of the dose was excreted in the urine by 96 hr. Major metabolites were identified in the urine by 1- and 2-D NMR and confirmed by isolation and purification of the individual metabolites followed by (13)C FT-NMR and mass spectometry. The proposed pathway involves oxidation of propargyl alcohol to 2-propynoic acid and glutathione conjugation, the first example of multiple glutathione additions to a triple bond. The following final products were identified: 3-((2-(acetylamino)-2-carboxyethyl)thio)-2-propenoic acid, S-S-(3-hydroxypropylidene)-bis(N-acetylcysteine), and 3-((2-(acetylamino)-2-carboxyethyl)-sulfinyl)-3-((2-(acetylamino)-2-carboxyethyl)thio)1-propanol.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 6:522
For more Metabolism/Metabolites (Complete) data for PROPARGYL ALCOHOL (7 total), please visit the HSDB record page.
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