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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

Reference
Reference Type:
other: Estimation program
Title:
Level III Fugacity Model results
Author:
US EPA
Year:
2012
Bibliographic source:
US Environmental Protection Agency Office of Pollution Prevention and Toxics and Syracuse Research Corporation. EPI Suite TM 2000-2012
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
US EPA, EPI Suite, 2012 Level III Fugacity model, entry to either air, water or soil or all three compartments
Release year:
2 012
Media:
other: air-water-sediment-soil

Test material

Constituent 1
Reference substance name:
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-
IUPAC Name:
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-
Constituent 2
Chemical structure
Reference substance name:
2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol
EC Number:
204-279-1
EC Name:
2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol
Cas Number:
118-82-1
Molecular formula:
C29H44O2
IUPAC Name:
2,6-di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phenol

Study design

Environmental properties:
Molecular wt 424.67
Henry's law constant 3.34 E-6 Pa-m3/mol
Vapor pressure 2e-8 mm Hg
melting point: 156 deg C
log Kow 8.99
Soil Koc 3.64 E7 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
0.026
Water (%):
1.15
Soil (%):
46.7
Sediment (%):
52.1
Other distribution results:
Release into air 1000 kg/hr
Distribution: air: 0.372%; water 0.279%, soil 86.7%, sediment 12.6%

Release to water 1000 kg/hr
Distribution air: 0.00024 %, water: 2.16%, Soil: 0.0559%, sediment: 97.8%

Release to soil 1000 kg/hr
Distribution:
Air: 1.71 E-6%, water: 0.00347%, soil 99.8%, sediment 0.157%

STP fugacity model 10000 Bio P.A.S, temp. 25deg. C): Total removal: 94.03% total biodegradation: 0.78%.
Primary sludge: 59.89 %, waste sludge: 33.36%, final water effluent: 5.97%

Applicant's summary and conclusion

Conclusions:
When released into the environment the substance is predicted to mainly distribute to soil and sediment. In sewage treatment plants it is expected to be eliminated via adsorption to sludge.