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EC number: 918-481-9 | CAS number: -
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Results obtained for representative components of the substance, by calculations with a valid QSAR
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using AOPWIN v.1.92
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No test surrogate - Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92
- Light source:
- other: calculated data
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3 - Reference substance:
- no
- Preliminary study:
- No preliminary study
- Test performance:
- Not applicable
- DT50:
- 0.963 d
- Test condition:
- Calculated values
- DT50:
- 11.552 h
- Test condition:
- Calculated values
- Transformation products:
- not specified
- Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The half-life of decane is 0.963 d. This value is largely below the trigger limit (2 days). Therefore, decane is not persistent.
- Executive summary:
The phototransformation in air was estimated from the AOPWIN v1.92 calculations of phototransformation.
The phototransformation rate is 11.11 x 10-12 cm3/molecule/sec.The calculated half-life is 0.963 d (11.552 hrs). This value is largely below the trigger limit (2 days). Therefore, Decane is not persistent.
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Results obtained for representative components of the substance, by calculations with a valid QSAR
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using AOPWIN v.1.92
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No test surrogate - Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92
- Light source:
- other: calculated data
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3 - Reference substance:
- no
- Preliminary study:
- No preliminary study
- Test performance:
- Not applicable
- DT50:
- 0.767 d
- Test condition:
- Calculated values
- DT50:
- 9.21 h
- Test condition:
- Calculated values
- Transformation products:
- not specified
- Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The half-life of dodecane is 0.767 d. This value is largely below the trigger limit (2 days). Therefore, dodecane is not persistent.
- Executive summary:
The phototransformation in air was estimated from the AOPWIN v1.92 calculations of phototransformation.
The phototransformation rate is 13.94 x 10-12 cm3/molecule/sec.The calculated half-life is 0.767 d (9.210 hrs). This value is largely below the trigger limit (2 days). Therefore, Dodecane is not persistent.
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Results obtained for representative components of the substance, by calculations with a valid QSAR
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using AOPWIN v.1.92
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No test surrogate - Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92
- Light source:
- other: calculated data
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3 - Reference substance:
- no
- Preliminary study:
- No preliminary study
- Test performance:
- Not applicable
- DT50:
- 0.638 d
- Test condition:
- Calculated values
- DT50:
- 7.657 h
- Test condition:
- Calculated values
- Transformation products:
- not specified
- Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The half-life of tetradecane is 0.638 d. This value is largely below the trigger limit (2 days). Therefore, tetradecane is not persistent.
- Executive summary:
The phototransformation in air was estimated from the AOPWIN v1.92 calculations of phototransformation.
The phototransformation rate is 16.76 x 10-12 cm3/molecule/sec.The calculated half-life is 0.638 d (7.657 hrs). This value is largely below the trigger limit (2 days). Therefore, Tetradecane is not persistent.
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Results obtained for representative components of the substance, by calculations with a valid QSAR
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using AOPWIN v.1.92
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No test surrogate - Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92
- Light source:
- other: calculated data
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3 - Reference substance:
- no
- Preliminary study:
- No preliminary study
- Test performance:
- Not applicable
- DT50:
- 0.854 d
- Test condition:
- Calculated values
- DT50:
- 10.249 h
- Test condition:
- Calculated values
- Transformation products:
- not specified
- Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The half-life of undecane is 0.854 d. This value is largely below the trigger limit (2 days). Therefore, undecane is not persistent.
- Executive summary:
The phototransformation in air was estimated from the AOPWIN v1.92 calculations of phototransformation.
The phototransformation rate is 12.52 x 10-12 cm3/molecule/sec.The calculated half-life is 0.854 d (10.249 hrs). This value is largely below the trigger limit (2 days). Therefore, Undecane is not persistent.
Referenceopen allclose all
Table 1. AOPWIN results for n-Decane
C nr. |
Name Smiles |
Formula |
Overall OH rate constant (10-12cm3/molecule sec) |
Half-life |
|
Days |
Hours |
||||
10 |
n-Decane CCCCCCCCCC |
C10H22 |
18.1757 |
0.588 |
7.062 |
Table 1. AOPWIN results forn-dodecane
C nr. |
Name Smiles |
Formula |
Overall OH rate constant (10-12cm3/molecule sec) |
Half-life |
|
Days |
Hours |
||||
12 |
n-Dodecane CCCCCCCCCCC |
C12H26 |
13.9366 |
0.767 |
9.210 |
Table 1. AOPWIN results forn-tetradecane
C nr. |
Name Smiles |
Formula |
Overall OH rate constant (10-12cm3/molecule sec) |
Half-life |
|
Days |
Hours |
||||
14 |
n-Tetradecane CCCCCCCCCCCCC |
C14H30 |
16.7627 |
0.638 |
7.657 |
Table 1. AOPWIN results forn-undecane
C nr. |
Name Smiles |
Formula |
Overall OH rate constant (10-12cm3/molecule sec) |
Half-life |
|
Days |
Hours |
||||
11 |
n-Undecane CCCCCCCCCC |
C11H24 |
12.5235 |
0.854 |
10.249 |
Description of key information
Decane half-life in air is 0.963 days. Therefore, decane is to be considered as not persistent in the atmospheric compartment (DT50 less than 2 days).
Undecane half-life in air is 0.854 days. Therefore, undecane is to be considered as not persistent in the atmospheric compartment (DT50 less than 2 days).
Dodecane half-life in air is 0.767 days. Therefore, dodecane is to be considered as not persistent in the atmospheric compartment (DT50 less than 2 days).
Tetradecane half-life in air is 0.648 days. Therefore, tetradecane is to be considered as not persistent in the atmospheric compartment (DT50 less than 2 days).
Key value for chemical safety assessment
Additional information
The phototransformation in air was estimated from the AOPWIN v1.92 calculations of phototransformation.
The phototransformation rate of decane is 11.11 x 10-12 cm3/molecule/sec. The calculated half-life is 0.963 d (11.552 hrs). This value is largely below the trigger limit (2 days). Therefore, decane is not persistent.
The phototransformation rate of undecane is 12.52 x 10-12 cm3/molecule/sec. The calculated half-life is 0.854 d (10.249 hrs). This value is largely below the trigger limit (2 days). Therefore, undecane is not persistent.
The phototransformation rate for dodecane is 13.94 x 10-12 cm3/molecule/sec. The calculated half-life is 0.767 d (9.210 hrs). This value is largely below the trigger limit (2 days). Therefore, dodecane is not persistent.
The phototransformation rate of tetradecane is 16.76 x 10-12 cm3/molecule/sec. The calculated half-life is 0.638 d (7.657 hrs). This value is largely below the trigger limit (2 days). Therefore, tetradecane is not persistent.
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