Allyl (3-methylbutoxy)acetate

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

high relibility

Justification for type of information:

he LogKoc QSAR prediction was assessed as adequate for regulatory purposes (Klimisch 2 - result derived from a valid QSAR model and falling into its applicability domain, with adequate and reliable documentation /justification).

Qualifier:

no guideline followed

Principles of method if other than guideline:

QSAR

GLP compliance:

no

Key result

Sample No.:

#1

Type:

Koc

Value:

ca. 80 L/kg

Temp.:

25 °C

Validity criteria fulfilled:

not specified

Conclusions:

LogKoc equal to 1.85 (corresponding to a Koc equal to 80 L/kg).
The LogKoc prediction is based on the arithmetic mean between the LogKow-based model prediction (LogKoc equal to 2.06) and MCI-based model prediction (LogKoc equal to 1.64).
KOCWIN estimations, i.e. LogKow-based and MCI-based, for the target Allyl (3- methylbutoxy)acetate were based on the polar equations with correction factors specific for the classes identified (i.e. Ether, aliphatic and Ester).

Executive summary:

LogKoc equal to 1.85 (corresponding to a Koc equal to 80 L/kg).

Description of key information

LogKoc equal to 1.85 (corresponding to a Koc equal to 80 L/kg).

Key value for chemical safety assessment

Koc at 20 °C:

80