Titanium tetra(octanolate), branched and linear

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Study period:

2003

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

This robust summary has a reliability rating of 2 because the data are calculated and not measured. Read-across justification: The substance is hydrolytically unstable. When it comes in contact with water or moisture complete hydrolysis will take place with no significant reaction products other than the particular alcohol and hydrated titanium dioxide. This rapid hydrolysis (hydrolysis half-life < 3 minutes to < 2 hours) is the driving force for the fate and pathways of the substance. The aquatic toxicity testing is considered scientifically unjustified as the substance degrades immediately releasing alcohol and hydrated insoluble titanium dioxides in water. The testing conducted with analogue substances of the category proves that the aquatic toxicity in daphnia and algae studies is similar to the aquatic toxicity of alcohol released to the test water, and the insoluble hydrated titanium oxides precipitated on the bottom of the test vessels. The identification of degradation products from the hydrolysis study conducted for the target substance verifies that there are no impurities in the alcohol released from the target substance, which might change the aquatic toxicity of the target substance compared to the toxicity of the pure alcohol. As there is a mechanistic reasoning to the read-across, the read-across from the degradation product (relevant alcohol) is used to evaluate the aquatic toxicity and the fate and pathways of the target substance in the environment.

Data source

Reference

Reference 1

Reference Type:

other: Computer model

Title:

Unnamed

Year:

2003

Reference 2

Reference Type:

publication

Title:

Unnamed

Year:

2001

Materials and methods

Model:

calculation according to Mackay, Level III

Release year:

2 003

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Alcohols, C7-9-iso, C8-rich

IUPAC Name:

Alcohols, C7-9-iso, C8-rich

Constituent 2

Reference substance name:

Alcohols, C7-9-iso-, C8-rich

EC Number:

271-231-4

EC Name:

Alcohols, C7-9-iso-, C8-rich

Cas Number:

68526-83-0

IUPAC Name:

6-methylheptan-1-ol

Details on test material:

Alcohols, C7-9-iso, C8-rich

Study design

Test substance input data:

Input values used:
Molecular mass = 130.23 g/mol
Water solubility = 1379 mg/L
Vapour pressure = 2.59 Pa
log Kow = 3.20
Melting point = -65 deg C

Results and discussion

Percent distribution in media

Air (%):

0.03

Water (%):

96.6

Soil (%):

0.03

Sediment (%):

3.3

Other distribution results:

Air - 0.03%
Water - 96.6%
Soil - 0.03%
Sediment - 3.3%

Any other information on results incl. tables

Read-across justifications and data matrices are presented in IUCLID section 13.

Applicant's summary and conclusion

Conclusions:

The Mackay Level III equilibrium model estimates that Alcohols, C7-9-iso, C8-rich will partition largely to the water compartment (approximately 96.6%), followed by the sediment (approximately 3.3%), soil (approximately 0.03%), and air (0.03%) compartments.

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