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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Type:
Pow
Partition coefficient:
31 770
Temp.:
25 °C
Remarks on result:
other: ± 280
Key result
Type:
log Pow
Partition coefficient:
4.5
Temp.:
25 °C
Remarks on result:
other: ± 0.004

None

Conclusions:
Under the test conditions, the partition coefficient, Kow (mol/mol), of (+)-limonene was measured to be 31770 ± 280 (log Pow = 4.50 ± 0.004) at 25 °C.
Executive summary:

A study was conducted to determine the partition coefficient of (+)-limonene using shake-flask method (de Bruijn et al., 1989; Dewulf et al., 1999) similarly to OECD Guideline 107. The partition coefficient (logPow) was determined gas-chromatographically after thorough mixing of the two phases to reach the equilibrium.

 

Under the test conditions, the partition coefficient, Kow (mol/mol), of (+)-limonene was measured to be 31770 ± 280 (log Pow = 4.50 ± 0.004) at 25 °C.

Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Type:
log Pow
Partition coefficient:
4.38
Temp.:
37 °C
pH:
7.2
Remarks on result:
other: standard error: 0.05
Details on results:
- Experimental log Kow (RP-HPLC) = 4.38 (S.E.: 0.05) at 37 °C
- Calculated log Kow = 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method)

None

Conclusions:
Under the test conditions, the partition coefficient, log Kow, of (+)-limonene was determined to be 4.38 (S.E. = 0.05) at 37 °C. The calculated log Kow values of (+)-limonene were 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method).
Executive summary:

A study was conducted to determine the partition coefficient of (+)-limonene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117.

 

Under the test conditions, the partition coefficient, log Kow, of (+)-limonene was determined to be 4.38 (S.E. = 0.05) at 37 °C. The calculated log Kow values of (+)-limonene were 4.36 (fragment method), 4.83 (atom /fragment contribution method) and 2.94 (atomistic method).

Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Type:
log Pow
Partition coefficient:
>= 4.34 - <= 4.46
Temp.:
25 °C
Remarks on result:
other: mean: 4.40

None

Conclusions:
Under the test conditions, the partition coefficient, log Pow of limonene at 25 °C was measured to be 4.40 (4.34-4.46).
Executive summary:

A study was conducted to determine the partition coefficient of limonene using shake-flask method according to OECD Guideline 107.

 

Under the test conditions, the partition coefficient, log Pow of limonene at 25 °C was measured to be 4.40 (4.34-4.46).

Description of key information

An experimental data is available for the partition coefficient of d-limonene, that is one of the main constituents of the registered substance.

log Kow of d-limonene was determined using HPLC method: 4.38 at 37°C.

Supporting results were obtained at 25°C using shake-fllask method.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.38
at the temperature of:
25 °C

Additional information

The key value for chemical safety assessment is based on available data on d-limonene, one of the main constituent of the registered substance.

The log Kow for d-limonene is derived from one study:

log Kow of d-limonene has been measured in a study by RP HPLC (purity above 95%), giving a precise result of 4.38 at 37 °C.

This result was confirmed by supporting studies conducted with d-limonene, but without any information on substance purity. A first study using the shake-flask method has been conducted with d-limonene, giving a range from 4.34 to 4.46 and a mean log Kow of 4.40 at 25 °C . In the second study conducted in the same conditions, log Kow was measured to be 4.5.

Therefore the key value is 4.38.