Registration Dossier
Registration Dossier
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EC number: 221-130-6 | CAS number: 3010-02-4
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method; but since the substance is a tertiary amine the estimation is highly uncertain.
Data source
Referenceopen allclose all
- Reference Type:
- other: EPIWIN calculation
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
- Reference Type:
- other: Estimation software
- Title:
- Estimation Programs Interface Suite for Microsoft Windows, v4.11
- Author:
- US-EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington, DC, USA
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation using AOPWIN v1.92
- GLP compliance:
- no
Test material
- Reference substance name:
- (diethylamino)acetonitrile
- EC Number:
- 221-130-6
- EC Name:
- (diethylamino)acetonitrile
- Cas Number:
- 3010-02-4
- Molecular formula:
- C6H12N2
- IUPAC Name:
- 2-(diethylamino)acetonitrile
- Details on test material:
- - Name of test material (as cited in study report): Acetonitrile, (diethylamino)-
Constituent 1
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000
- Degradation rate constant: 19.3573E-12 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92
- Calculated t 1/2 is based on a 24 h day
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 19.892 h
- Test condition:
- half-life calculated for the following conditions: sensitizer for indirect photolysis: OH; 0.5 E06 OH/cm³, 24h day; as the substance is a tertiary amine, the estimate is highly uncertain.
Any other information on results incl. tables
Estimate refers to the uncharged molecule.
Hydrogen Abstraction = 19.3573 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 = 19.3573 E-12 cm3/molecule-sec
HALF-LIFE = 0.829 Days (24 -hr day; 0.5E6 OH/cm3)
HALF-LIFE = 19.892 Hrs
Applicant's summary and conclusion
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