2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Phototransformation in air

Administrative data

Endpoint:

phototransformation in air

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Scientifically acceptable calculation.

Data source

Reference

Reference Type:

other: EPIWIN calculation

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Principles of method if other than guideline:

calculated using SRC AOP v1.92

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

EC Number:

266-564-7

EC Name:

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Cas Number:

67075-37-0

Molecular formula:

C40H26N2O4

IUPAC Name:

7,18-bis(2-phenylethyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Study design

Estimation method (if used):

PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5E6 OH/cm3
- Degradation rate constant: 0.0000000000588 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Calculated t 1/2 is based on a 12 h day

Results and discussion

Dissipation half-life of parent compound

DT50:

2.2 h