2-ethoxyphenol

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method.

Qualifier:

according to guideline

Guideline:

other: calculation method

Type of method:

other: calculation method

Type:

log Pow

Partition coefficient:

1.83

Remarks on result:

other: No data on Temp and pH (calculation method)

Below are the detailed results provided by KOWWIN :

TYPE	NUM	LOGKOW FRAGMENT DESCRIPTION	COEFF	VALUE
Frag	6	Aromatic Carbon	0.2940	1.7640
Frag	2	—OH [hydroxy, aromatic attach]	-0.4802	-0.9604
Frag	1	-CH3   [aliphatic carbon]	0.5473	0.5473
Frag	1	-CH2-  [aliphatic carbon]	0.4911	0.4911
Frag	1	Ring reaction -> alkyloxy ortho to -OH	-0.2560	-0.2560
Const		Equation constant		0.2290
			Log Kow = 1.8288

 

The molecular weight of Guetol is 138.16 g/mol, hence within the estimation domain of the validation set (27.03 - 991.15 g/mol). All the functional groups are included in the list of descriptors, and the occurrence of each fragment is below the maximum number in the training/validation sets:

 

Fragment Description	Coef	Training Set		Validation Set
		Max	Number	Max	Number
Aromatic Carbon	0.2940	24	1790	30	8792
—OH [hydroxy, aromatic attach]	-1.4086	6	187	9	1525
-CH3   [aliphatic carbon]	0.5473	13	1401	20	7413
-CH2-  [aliphatic carbon]	0.4911	18	1083	28	7051
Ring reaction -> alkyloxy ortho to -OH	-0.2560	2	7	4	40

 

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: No test substance information, no guideline, secondary literature, but reference database.

Qualifier:

no guideline available

Guideline:

other: No information on the guideline is available but this published data is coming from a reference database

GLP compliance:

not specified

Type of method:

other: No information on the method is available, but this published data is coming from a reference database.

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

1.68

Remarks on result:

other: no additional data available

No more data.

Description of key information

Partition coefficient range: 1.68 - 1.83

Additional information

Two results were available, one experimental and one calculated. As they were in the same range, no key study was selected and a "Weight of Evidence" approach is applied. With a range from 1.68 to 1.83, Guetol has a low potential of bioaccumulation.