Registration Dossier
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EC number: 695-977-9 | CAS number: 1309955-79-0
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Half-life in air estimated using the EPI Suite QSAR AOPWIN, more information on applicability domain can be found in the manual contained in the software package.
- Guideline:
- other:
- Principles of method if other than guideline:
- The Atmospheric Oxidation Program for Microsoft Windows (AOPWIN) estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
- GLP compliance:
- no
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Conclusions:
- In the atmosphere di (2-hydroxypropyl)tallow amine are likely to be degraded by reaction with hydroxyl radicals. The half-life in air is calculated using the EPIsuite QSAR using the advised 500000 OH-radicals/cm3
- Executive summary:
In the atmosphere di (2 -hydroxypropyl)tallowamine is likely to be degraded by reaction with hydroxyl radicals. Degradation rates for some components were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 500,000 OH-radicals/cm3, degradation half-lives of 2.99 h for di (2 -hydroxypropyl) octadecylamine, 3.06 h for di (2 -hydroxypropyl)hexadecyl amine (overall OH rate constant: 126.06e-12 cm3/molecule sec), and 2.11 and 1.38 h for the cis- and trans-isomer of di (2 -hydroxypropyl) octadecenyl amine, respectively, were calculated. For the exposure calculations, a mean value for the saturated amines of 3.0 h is used. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Reference
Description of key information
In the atmosphere di (2-hydroxypropyl)tallow amine is likely to be degraded by reaction with hydroxyl radicals. Degradation rates for some components were calculated with the Atmospheric Oxidation Programme based on structure activity relationships developed by Atkinson (1987). With a concentration of 500,000 OH-radicals/cm3, half-lives of 3 h for di (2-hydroxypropyl) octadecylamine. Because there are no important releases into the atmosphere and volatilisation is expected to be negligible, this removal mechanism is thought to be of low relevance.
Direct photolysis of alkyl-1,3-diaminopropanes in air will not occur, because it does not absorb UV radiation above 290 nm .Photo transformation in air is therefore assumed to be negligible
Key value for chemical safety assessment
Additional information
Rate constant and half-life as calculated for di (2 -hydroxypropyl)octadecylamine were used.
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