Registration Dossier
Registration Dossier
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EC number: 204-646-6 | CAS number: 123-72-8
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented publication/study report which meets basic scientific principles
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 007
Materials and methods
- Principles of method if other than guideline:
- Calculation with AOP v1.90
- GLP compliance:
- no
Test material
- Reference substance name:
- n-butyraldehyde
- IUPAC Name:
- n-butyraldehyde
- Reference substance name:
- 000123-72-8
- Cas Number:
- 000123-72-8
- IUPAC Name:
- 000123-72-8
- Details on test material:
- No details given
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not relevant
Study design
- Estimation method (if used):
- No details given
- Light source:
- not specified
- Details on light source:
- No details given
- Details on test conditions:
- No details given
- Reference substance:
- not specified
Results and discussion
- Preliminary study:
- No details given
- Test performance:
- No details given
% Degradationopen allclose all
- % Degr.:
- 50
- Sampling time:
- 5.05 h
- % Degr.:
- 50
- Sampling time:
- 0.42 d
- Test condition:
- (12-h day; 1.5 * 10E6 OH/cm3)
- Transformation products:
- not specified
- Results with reference substance:
- No details given
Any other information on results incl. tables
-------- SUMMARY (AOP v1.90): HYDROXYL RADICALS ------------
Hydrogen Abstraction = 25.4314 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 25.4314 E-12 cm3/molecule-sec
HALF-LIFE = 0.421 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 5.047 Hrs
------------------- SUMMARY (AOP v1.90): OZONE REACTION ----------------------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database Structure Match:
Chem Name : Butanal
CAS Number: 000123-72-8
Exper OH rate constant : 23.5 E-12 cm3/molecule-sec
Exper OH Reference: ATKINSON,R (1985)
Exper Ozone rate constant: --- cm3/molecule-sec
Exper NO3 rate constant : --- cm3/molecule-sec
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Calculation with AOP v1.90. 50% degradation found after 5 hours.
- Executive summary:
Calculation with AOP v1.90. 50% degradation found after 5 hours.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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