Registration Dossier
Registration Dossier
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EC number: 203-788-6 | CAS number: 110-65-6
Biotransformation and kinetics
Administrative data
- Endpoint:
- biotransformation and kinetics
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented publication which meets basic scientific principles. Not suitable for risk assessment.
Data source
Reference
- Reference Type:
- publication
- Title:
- The toxicity of acetylenic alcohols to the fathead minnow, pimephales promelas: narcosis and proelectrophile activation.
- Author:
- Veith GD et al.
- Year:
- 1 989
- Bibliographic source:
- Xenobiotica 19: 555-565
Materials and methods
- GLP compliance:
- not specified
- Type of medium:
- other: Metabolism, QSAR
Test material
- Reference substance name:
- But-2-yne-1,4-diol
- EC Number:
- 203-788-6
- EC Name:
- But-2-yne-1,4-diol
- Cas Number:
- 110-65-6
- Molecular formula:
- C4H6O2
- IUPAC Name:
- but-2-yne-1,4-diol
- Details on test material:
- - Name of test material (as cited in study report): 2-butyne-1,4-diol
- Analytical purity: No data
Constituent 1
Results and discussion
Any other information on results incl. tables
Pimephales promelas:
observed LD50 (96h) = 53,6 (49.3-58.3) mg/l
predicted LD50 (96h) = 254000 mg/l (QSAR, narcosis mechanism as cause of death)
factor of 4740 between observed and predicted toxicity.
The increased toxicity was traced back to the metabolic transformation via the enzyme alcohol dehydrogenase (ADH) to the corresponding alpha,beta-unsaturated aldehyde; 4-hydroxy-2-butynal (4-HB). 4-HB were found to bind irreversibly to an amino acid residue on the active site of ADH leading to irreversible enzyme inhibition, which caused the toxicity.
Applicant's summary and conclusion
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