Registration Dossier
Registration Dossier
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EC number: 203-517-1 | CAS number: 107-74-4
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Referenceopen allclose all
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 017
- Reference Type:
- other: compilation of physico-chemical, environmental, and ecotoxicological information in a database
- Title:
- Danish (Q)SAR Database: 3,7-Dimethyloctane-1,7-diol
- Author:
- Technical University of Denmark (DTU)
- Year:
- 2 017
- Bibliographic source:
- Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The photodegradation of hydroxycitronellol in air by reaction with OH radicals was calculated using EPIWIN v4.11, AOPWIN v1.92.
- GLP compliance:
- no
Test material
- Test material form:
- liquid
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5 x 10E-12 OH/cm³ (12 h day)
- Degradation rate constant: 17.0414 x 10E-12 cm³/molecule x sec
- Temperature for which rate constant was calculated: 25°C
- Computer programme: EPIWIN v4.11, AOPWIN v1.92
Results and discussion
% Degradation
- Key result
- % Degr.:
- 50
- Sampling time:
- 7.532 h
- Test condition:
- 25°C
Degradation rate constant
- Reaction with:
- OH radicals
- Remarks on result:
- other: rate constant: 17.0414 x 10E-12 cm³/molecule x sec
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- A half-life time t1/2=7.532 h (25°C) was estimated for the photodegradation of hydroxycitronellol in air by reaction with OH radicals.
- Executive summary:
The photodegradation of hydroxycitronellol in air by reaction with OH radicals was calculated using EPIWIN v4.11, AOPWIN v1.92. Taking into account a OH radical concentration of 1.5 x 10E6 radicals/cm³ (12 -h day) and a reaction rate constant of 17.0414 x 10E-12 cm³/molecule x sec (at 25°C) a half-life t1/2=7.532 h (0.628 d) was estimated.
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