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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
Data come from an online compilation using secondary data sources.
No study was conducted on the oil iself, as not relevant for an UVCB, however data provide from validated model.
Literature provided data for the six major components representing about 86% of the UVCB substance.
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
4.11
Type:
log Pow
Partition coefficient:
4.48
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp. and pH are estimated.
Conclusions:
Log Kow value of lavandulyle acetate is 4.48.
Endpoint:
partition coefficient
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing about 86% of the UVCB.
Qualifier:
according to
Guideline:
other: [Griffin S et al; Environ Health Perspect 107: 481-7 (1999)] **PEER REVIEWED**
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
3.93
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp. and pH are presumed.
Conclusions:
Log Kow value of linalyle acetate is 3.93.
Endpoint:
partition coefficient
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing about 86% of the UVCB.
Qualifier:
according to
Guideline:
other: [Chemical Inspection and Testing Institute; Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN 4-89074-101-1 p.4-39 (1992)] **PEER REVIEWED**
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.69
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp. and pH are estimated.
Conclusions:
Log Kow value of borneol is 2.69.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
Data come from an online compilation using secondary data sources. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing about 86% of the UVCB substance.
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
4.11
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.3
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp. and pH are presumed.
Conclusions:
Log Kow value of caryophyllene is 6.30.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
Data come from an online compilation using secondary data sources. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing about 86% of the UVCB substance.
Qualifier:
according to
Guideline:
other: EPI suite
Version / remarks:
4.11
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
3.68
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp. and pH are presumed.
Conclusions:
Log Kow value of lavandulol is 3.48.
Endpoint:
partition coefficient
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing about 86% of the UVCB.
Qualifier:
according to
Guideline:
other: [Li J et al; Environ International 24: 353-358 (1998)] **PEER REVIEWED**
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.97
Temp.:
25 °C
pH:
7
Conclusions:
Log Kow value of linalool is 2.97.

Description of key information

Literature provided data for the 6 major components representing about 86% of the UVCB substance:

Constituent names  CAS nr Log Kow source
linalyle acetate 115 -95 -7 3.93 HSDB
borneol  507 -70 -0 2.69 HSDB
lavandulyle acetate 25905-14-0 4.48 EPI suite v4.11
linalol 78-70-6 2.97 HSDB
caryophyllene 87-44-5 6.3 EPI suite v4.11
lavandulol 58461-27-1 3.68 EPI suite v4.11

Two of constituents have a logKow > 4. Based on these log Kow, the substance has POTENTIAL FOR BIOACCUMULATION.

Key value for chemical safety assessment

Additional information

As no CSA is required for the tonnage band of concern, no key value was retained.

The different partitition coefficient in log are betwwen 2.69 and 6.30.


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