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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
supporting study
Study period:
2007
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered valid by OECD
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR model
Title:
EPI Suite v3.20
Author:
US EPA
Year:
2007
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
QSAR model
GLP compliance:
no
Remarks:
not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-(2-methoxyethoxy)ethoxy)ethanol
EC Number:
203-962-1
EC Name:
2-(2-(2-methoxyethoxy)ethoxy)ethanol
Cas Number:
112-35-6
Molecular formula:
C7H16O4
IUPAC Name:
2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol
Details on test material:
not applicable

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS - assumed reaction conditions used in model:
- Concentration of OH radicals: 1.5x10^6 per cm3
- Temperature for which rate constant was calculated: 25C
- Computer programme: AOPWIN v1.92
Light source:
sunlight

Results and discussion

Results with reference substance:
OVERALL OH Rate Constant = 39.8895 E-12 cm3/molecule-sec
HALF-LIFE = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 3.21 Hrs

Any other information on results incl. tables

Hydrogen Abstraction Calculation:

Ksec = 0.934 F(-CH2-)F(-O-)=0.934(1.230)(6.100)x5= 35.039

Ksec = 0.934 F(-OH)F(-CH2-)=0.934(3.500)(1.230)= 4.021

Kprim = 0.136 F(-O-)=0.136(6.1)= 0.829

H Abstraction TOTAL = 39.890 E-12 cm3/molecule-sec

Reaction Rates With -OH: K(-OH) = 0.140 E-12 cm3/molecule-sec

Applicant's summary and conclusion

Conclusions:
The photochemical degradation rate of 2 -(2 -butoxyethoxy)ethanol in the atmosphere is 51.5 E-12 cm3/molecule-sec, with a resultatnt predicted half live of 2.5 Hrs
Executive summary:

Using the AOPWIN QSAR model, the photochemical degradation rate of 2 -(2 -(2 -methoxyethoxy)ethoxy)ethanol in the atmosphere is 39.89 E-12 cm3/molecule-sec, with a resultant predicted half live of 3.2 Hrs