Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2004
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: model data
Title:
EPISuite Results for 2-ethylhexyl diphenyl phosphite
Author:
US EPA
Year:
2013
Bibliographic source:
US EPA
Report date:
2013

Materials and methods

Test guideline
Deviations:
not specified
Principles of method if other than guideline:
EPISuite 4.0
Type: hydroxyl radical reaction
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethylhexyl diphenyl phosphite
EC Number:
239-716-5
EC Name:
2-ethylhexyl diphenyl phosphite
Cas Number:
15647-08-2
Molecular formula:
C20H27O3P
IUPAC Name:
phosphorous acid, 2-ethylhexyl diphenyl ester

Study design

Light source:
not specified
Details on test conditions:
Atmospheric oxidation estimated using EPISuite 4\ AOPWin v.1.92 Hydroxyl radical reaction. Assumes 12 hour day, 1.5 x106 OH/cm3
Duration of test at given test condition
Reference substance:
not specified

Results and discussion

Spectrum of substance
Remarks on result:
other: No data
% Degradation
Test condition:
No data
Dissipation half-life of parent compound
DT50:
3.221 h
Transformation products:
not specified
Identity of transformation products
Reference
Reference substance name:
Unnamed
IUPAC name:
No data
Identity:
No data

Any other information on results incl. tables

AOP Program (v1.92) Results:

===========================

SMILES : O(P(Oc(cccc1)c1)Oc(cccc2)c2)CC(CCCC)CC

CHEM  : Phosphorous acid, 2-ethylhexyl diphenyl ester

MOL FOR: C20 H27 O3 P1

MOL WT : 346.41

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------

Hydrogen Abstraction      = 32.6192 E-12 cm3/molecule-sec

Reaction with N, S and -OH =  0.0000 E-12 cm3/molecule-sec

Addition to Triple Bonds  =  0.0000 E-12 cm3/molecule-sec

Addition to Olefinic Bonds =  0.0000 E-12 cm3/molecule-sec

**Addition to Aromatic Rings =  7.2282 E-12 cm3/molecule-sec

Addition to Fused Rings   =  0.0000 E-12 cm3/molecule-sec

 

  OVERALL OH Rate Constant = 39.8474 E-12 cm3/molecule-sec

  HALF-LIFE =    0.268 Days (12-hr day; 1.5E6 OH/cm3)

  HALF-LIFE =    3.221 Hrs

........................ ** Designates Estimation(s) Using ASSUMED Value(s)

------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------

 

              ****** NO OZONE REACTION ESTIMATION ******

              (ONLY Olefins and Acetylenes are Estimated)

 

Experimental Database: NO Structure Matches

Fraction sorbed to airborne particulates (phi):

 0.235 (Junge-Pankow, Mackay avg)

 0.611 (Koa method)

    Note: the sorbed fraction may be resistant to atmospheric oxidation

 

Applicant's summary and conclusion

Conclusions:
Model predicts half-life in air of 3.221 hours.
Executive summary:

Model predicts half-life in air of 3.221 hours.