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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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