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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
other: literature and QSAR calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Reason / purpose for cross-reference:
reference to other study
Principles of method if other than guideline:
No study was conducted on the Summer Savory oil itself. The test item is a natural complex substance (NCS). It is a UVCB substance having several constituents, 11 of which represent more than 95% of that mixture. The eleven known components of the UVCB substance (more than 95% of the composition) have log Pow that range between 3.49 and 6.3 (literature and QSAR calculation). Thus the log Pow of the substance is defined as the range of the log Pow of its consituents.
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
>= 3.49 - <= 6.3
Temp.:
20 °C
Remarks on result:
not measured/tested
Remarks:
applicable for essential oils.

Table 1. Known components of the summer savory oil and their log Pow values as extracted from the scientific information sources.

Constituent name

CAS №

log Pow

1

Carvacrol

499-75-2

3.49

2

p-mentha-1,4-diene/Gamma Terpinen

99-85-4

4.5

3

7-methyl-3-methyleneocta-1,6-diene/ Myrcene

123-35-3

4.17

4

Pin-2(3)-ene/ a-pinene

80-56-8

4.83

5

Beta-Pinene

18172-67-3

4.16

6

1-isopropenyl-4-methylbenzene/ Para-Cymene

99-87-6

4.1

7

Alpha-Terpinene

99-86-5

4.25

8

Dipentene/limonene

138-86-3

4.57

9

Alpha-Thujene

2867-05-2

4.61

10

Beta-caryophyllene

87-44-5

6.3

11

Beta-Bisabolene

495-61-4

5.2

Conclusions:
The eleven known constituents of Summer Savory oil (more than 95% of the composition) have log Pow that range between 3.49 and 6.3 (literature and QSAR calculation). Therefore, the log Pow of the substance is between 3.49 and 6.3.
Executive summary:

The eleven known constituents of Summer Savory oil (more than 95% of the composition) have log Pow that range between 3.49 and 6.3 (literature and QSAR calculation). Therefore, the log Pow of the substance is between 3.49 and 6.3. As the substance is a UVCB with constituents of different log Pow, the global log Pow of the test item will depend on the composition and the loading rate (with varying ratio of constituents in the dissolved phase). Therefore, the log Pow of the 11 major constituents of the substance are considered and no single key value was retained.

Description of key information

The eleven known components of the UVCB susbtance (more than 95% of the composition) have log Pow that range between 3.49 and 6.3 (literature and QSAR calculation).

Key value for chemical safety assessment

Additional information

No study was conducted on the Summer savory oil itself. The test item is a natural complex substance (NCS). It is a UVCB substance composed of several constituents, 11 of which represent more than 95% of it.