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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

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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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Griffin S et al; J Chromatog A 864: 221-8 (1999)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.74
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp.are estimated
Conclusions:
Log Kow value is 2.74 for cineol.
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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Preprints of papers presented at the 209th ACS National Meeting Anaheim, CA April 2-7, 35(1): 134-7 (1995)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.57
Temp.:
25 °C
pH:
7
Conclusions:
Log Kow value is 4.57 for limonene.
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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Li J et al; Environ International 24: 353-358 (1998)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.97
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp. are estimated.
Conclusions:
Log Kow value is 2.97 for linalol.
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:
ata 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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Copolovici LO, Niinemets U; Chemosphere 61: 1390-1400 (2005)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.33
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp. are estimated
Conclusions:
Log Kow value is 4.33 for myrcene.
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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.83
Temp.:
25 °C
pH:
7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value is 4.83 for pinene alpha.
Endpoint:
partition coefficient
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
ata 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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Griffin S et al; J Chromatog A 864: 221-8 (1999)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.16
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp. are estimated
Conclusions:
Log Kow value is 4.16 for pinene beta.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
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:
EPI suite software accepted by ECHA
Qualifier:
according to guideline
Guideline:
other: EPI suite v4.11
Version / remarks:
KOWWIN v1.68 estimate
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.69
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp. are estimated
Conclusions:
Log Kow value is 4.69 for sabinene.
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 8 major components representing 84.7%.
Qualifier:
according to guideline
Guideline:
other: [Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)] **PEER REVIEWED**
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.98
Temp.:
25 °C
pH:
7
Remarks on result:
other: pH and temp are estimated
Conclusions:
Log Kow value is 2.98 for terpineol alpha.

Description of key information

No study was conducted on the essential oil iself, as not relevant for an UVCB.

The test item is a natural complex substance (NCS). It is a mixture of several constituents, but eight of them represent more than 84.7% of that mixture.

Literature provided data for these 8 major components :

Constituent names  CAS nr  Partition coefficient Log Kow source
pinene alpha  80 -56 -8 4.83 HSDB
pinene beta  127 -91 -3 4.16 HSDB
sabinene  3387-41-5 4.69 EPI suite v4.11
myrcene  123 -35 -3 4.33 HSDB
limonene  5989-27-5 4.57 HSDB
cineol  470-82-6 2.74 HSDB
linalol  78 -70 -6

2.97

 HSDB
terpineol alpha  98-55-5 2.98 HSDB

The majority of constituents have a logKow > 4.

Based on the log Kow of such constituents, the substance has POTENTIAL FOR BIOACCUMULATION.

Key value for chemical safety assessment

Additional information