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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Henry's law constant
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 calculation method

Data source

Reference
Reference Type:
other: Estimation program
Title:
HENRYWIN v3.2 Rogram 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

Test guideline
Qualifier:
according to guideline
Guideline:
other: US EPA HENRYWIN
GLP compliance:
no

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

Results and discussion

Henry's Law constant Hopen allclose all
H:
ca. 0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Bond estimation method
H:
ca. 0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Group estimation method

Applicant's summary and conclusion

Conclusions:
The results of level III fugacity models indicate that, when released into the environment the substance will mainly distribute to soil (when released to soil or air) and sediment (when released to water). The substance has a high absorption potential to soil and sewage sludge.
Executive summary:

The results of level III fugacity models indicate that, when released into the environment the substance will mainly distribute to soil (when released to soil or air) and sediment (when released to water). The substance has a high absorption potential to soil and sewage sludge.