Registration Dossier
Registration Dossier
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EC number: 203-529-7 | CAS number: 107-88-0
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelling with AOPWIN v1.92
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 OH/cm³
- Degradation rate constant: 14.2329 E-12 cm³/molecule*sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOP v1.92
- other: 24-h day - % Degr.:
- 50
- Sampling time:
- 27 h
- % Degr.:
- 50
- Sampling time:
- 1.1 d
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The photodegradation half-life is ca. 27 hours.
- Executive summary:
The degradation of 1,3 -butanediol in air by reaction with OH-radicals was estimated with the AOP programme (v1.92). Based on a 24 -h day with an OH radical concentration of 0.5 E06 OH/cm³ the overall OH rate constant was calculated to be 14.2329 E-12 cm³/molecule*sec, leading to a half-life of approx. 27 hours (equivalent to 1.1 days).
Reference
Description of key information
OH-radical rate constant: 14.2329 E-12 cm³/molecule*sec; half-life air: 27 h (24 -h day, 0.5 E06 OH/cm³; ECT, 2008).
Key value for chemical safety assessment
Additional information
The degradation of 1,3 -butanediol in air by reaction with OH-radicals was estimated with the AOP programme (v1.92). Based on a 24 -h day with an OH radical concentration of 0.5 E06 OH/cm³ the overall OH rate constant was calculated to be 14.2329 E-12 cm³/molecule*sec, leading to a half-life of approx. 27 hours (equivalent to 1.1 days) (ECT, 2008).
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