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EC number: 939-009-8 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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 for cross-reference:
- 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
- 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 for cross-reference:
- 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) - 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 for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4.34 - <= 4.46
- Temp.:
- 25 °C
- Remarks on result:
- other: mean: 4.40
- 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).
Referenceopen allclose all
None
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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.
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