Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

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:
other: Data generated accepted QSAR calculation
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculated with AOP Program v1.92 of EPI-Suite softwar
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(E)-(butan-2-ylidene)amino N-(5-{3-[6-(3-{6-[({[(butan-2-yl)amino]oxy}(hydroxy)methyl)amino]hexyl}-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl}pentyl)carbamate; (E)-(butan-2-ylidene)amino N-[5-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)pentyl]carbamate; (E)-(butan-2-ylidene)amino N-[6-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4-dioxo-1,3-diazetidin-1-yl)hexyl]carbamate
EC Number:
617-779-3
Cas Number:
85940-94-9
Molecular formula:
Not applicable (UVCB substance)
IUPAC Name:
(E)-(butan-2-ylidene)amino N-(5-{3-[6-(3-{6-[({[(butan-2-yl)amino]oxy}(hydroxy)methyl)amino]hexyl}-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl}pentyl)carbamate; (E)-(butan-2-ylidene)amino N-[5-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-5-{5-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]pentyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)pentyl]carbamate; (E)-(butan-2-ylidene)amino N-[6-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4-dioxo-1,3-diazetidin-1-yl)hexyl]carbamate
Details on test material:
-Chemical name: see confidential details on test material
- SMILE code: see confidential details on test material
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
- Not relevant

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5 x 10^6 OH Radicals/cm3
- OH Time frame: 12 h
- Computer programme: Aopwin Program (v1.92)
Reference substance:
no

Results and discussion

Dissipation half-life of parent compound
DT50:
0.148 d
Test condition:
12-hr day; 1.5E6 OH/cm3
Degradation rate constant
Reaction with:
OH radicals
Rate constant:
ca. 0 cm³ molecule-1 s-1
Transformation products:
not specified

Any other information on results incl. tables

The degradation rate constant by reaction with OH radicals is:

0,0000000000724856 = 7.24856 E-11 cm3/molecule/sec

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Under the conditions of AOPWin calculation, the registered substance is found to be instable to light with a half-life of 1.771 h.
Executive summary:

The calculated half-life (DT50) of the registered substance in air due to indirect photodegradation is approx. 0.148 d which is equivalent to 1.771 h.