Registration Dossier
Registration Dossier
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EC number: 203-537-0 | CAS number: 107-96-0
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:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: MIGRATED DATA SET. Only secondary literature. (Data which was derived from an acceptable calculation method was taken from a IUCLID4 secondary data source without proof to be supplied as additional information.)
Data source
Reference
- Reference Type:
- other: IUCLID 4 data set entry
- Title:
- No information
- Author:
- USEPA
- Year:
- 2 007
- Bibliographic source:
- Estimations Programs Interface (EPI) Suite®, version 3.20.
Materials and methods
- Principles of method if other than guideline:
- MIGRATED DATA SET. Method: other (calculated)
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-mercaptopropionic acid
- EC Number:
- 203-537-0
- EC Name:
- 3-mercaptopropionic acid
- Cas Number:
- 107-96-0
- Molecular formula:
- C3H6O2S
- IUPAC Name:
- 3-sulfanylpropanoic acid
- Details on test material:
- MIGRATED DATA SET. IUCLID4 Test substance: as prescribed by 1.1 - 1.4
Constituent 1
Study design
- Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 1500000 molecule/cm³
Results and discussion
Any other information on results incl. tables
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS-------------------
Hydrogen Abstraction = 9.8224 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 33.0200 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 = 42.8424 E-12 cm3/molecule-sec
HALF-LIFE = 0.250 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 2.996 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION
----------------------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database: NO Structure Matches
Fraction sorbed to airborne particulates (phi): 2.78E-005
(Junge,Mackay)
Note: the sorbed fraction may be resistant to
atmospheric oxidation
Rate constant (for indirect photolysis): = 0.0000000000428424 cm³/(molecule*sec)
Degradation in % (for indirect photolysis): = 50 after 0.3 day(s)
Applicant's summary and conclusion
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