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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 6 March to 20 September 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: According to the EU Method, OECD Guideline and it is GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Principles of method if other than guideline:
- Physical state: clear colorless liquid
- Storage condition of test material: room temperature in the dark
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
3,6-dimethylheptan-2-ol
EC Number:
801-829-8
Cas Number:
1247790-47-1
Molecular formula:
C9H20O
IUPAC Name:
3,6-dimethylheptan-2-ol
Details on test material:
- Physical state: clear colorless liquid
- Storage condition of test material: room temperature in the dark

Study design

HPLC method

Details on study design: HPLC method:
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC system: Agilent Technologies 1200
Column: Waters XSelect HSS CYANO 5µm
Comlumn temperature: 30ºC
Mobile phase: methanol: purified water (55:45 v/v)
pH of mobile phase: 7.0
Flow-rate: 1.0mL/min
Injection volume: 10µL
UV detector wavelength: 210 nm
Mass Selective detector parameters: Source: Electrospray; Polarity: Positive; Mode: SIM, Fragmentor voltage: 70V; Ion monitored: 167.1 m/z; Drying gas flow: 12L/min at 350ºC; Nebulizer pressure: 35psi; Capillary voltage: 5000V


Batch equilibrium or other method

Details on sampling:
Preparation of the dead time solution
The dead time was determined by measuring the retention time of formamide at 610 mg/L in methanol: water (55:45 v/v)

Preparation of the sample solution
Test item (0.0607g) was diluted to 50 mL with methanol

Results and discussion

Adsorption coefficient
Type:
log Koc
Value:
2.54

Results: Batch equilibrium or other method

Adsorption and desorption constants:
The test item had no dissociation constant within the environmentally relevant pH range. Therefore, the mobile phase was used at neutral pH.
Details on results (Batch equilibrium method):
Mass spectrometry via the sodiated form was used to detect the test item as absorption of ultraviolet/visible radiation was not significantly different from mobile phase for definitive detection.

Any other information on results incl. tables

 Injection Retention Time (mins)  Capacity Factor (k')  Log K'   Log Koc
 1 4.673  1.47  0.617  2.54 
4.675  1.47  0.167  2.54 

Mean Log Koc: 2.54

Adsorption Coefficient: 346

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of the test item has been determined to be 346, log Kox 2.54. These values indicate that the test item would have medium environmental mobility.
Executive summary:

346, log Koc 2.54, using the HPLC screening method, using a procedure designed to be compatible with Method C19 Adsorption Coefficient of Commission Regulation and Method 121 of the OECD Guideline. These values indicate that the test item would have medium environmental mobility.