Registration Dossier

Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Remarks:
EPI
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 comes 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. Literature provided data for the seven major components representing 90.57%. Beta Ocimene content of the UVCB : ca 7%
Qualifier:
according to guideline
Guideline:
other: QSAR EPI SUITE 4.11
Version / remarks:
KOWWIN v1.68 estimate
Principles of method if other than guideline:
QSAR estimation
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.8
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of beta ocimene, present at a concentration of about 7% is 4.80.
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. Literature provided data for the seven major components representing 90.57%. Camphor content of the UVCB : ca 13%
Qualifier:
no guideline available
Principles of method if other than guideline:
[US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. EPI Suite Links. SRC Fate Pointer File. Available from, as of Jul 16, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm **PEER REVIEWED**
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
2.38
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of camphor, present at a concentration of about 13% is 2.38.
Endpoint:
partition coefficient
Type of information:
other: biblography
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. Literature provided data for the seven major components representing 90.57%. Cineol content of the UVCB : ca 1.5%
Qualifier:
no guideline available
Principles of method if other than guideline:
[Griffin S et al; J Chromatog A 864: 221-8 (1999)] **PEER REVIEWED**
GLP compliance:
not specified
Type:
log Pow
Partition coefficient:
2.74
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of cineol, present at a concentration of about 1.5% is 2.74.
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. Literature provided data for the seven major components representing 90.57%. Limonene content of the UVCB is about 1%
Qualifier:
no guideline available
Principles of method if other than guideline:
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**
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
ca. 4.57
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of limonene, present at a concentration of about 1% is 4.57.
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. Literature provided data for the seven major components representing 90.57%. Linalool content of the UVCB : ca 60%
Qualifier:
no guideline available
Principles of method if other than guideline:
Li J et al; Environ International 24: 353-358 (1998)] **PEER REVIEWED**
GLP compliance:
not specified
Type:
log Pow
Partition coefficient:
2.97
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of linalool, present at a concentration of about 60% is 2.97.
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. Literature provided data for the seven major components representing 90.57%. Linalyl acetate content of the UVCB : ca 1%
Qualifier:
no guideline available
Principles of method if other than guideline:
[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:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of linalyl acetate, present at a concentration of about 1% is 3.93.
Endpoint:
partition coefficient
Type of information:
other: bibliography
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
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. Literature provided data for the seven major components representing 90.57%. Terpinene-4-ol content of the UVCB is about 3.5%
Qualifier:
no guideline available
Principles of method if other than guideline:
[Griffin S et al; J Chromatogr 864: 221-8 (1999)] **PEER REVIEWED**
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
3.26
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: temp and pH are estimated
Conclusions:
Log Kow value of terpinene-4-ol, present at a concentration of about 3.5% is 3.26.

Description of key information

No study was conducted on the fractionned oil iself.

The test item is a natural complex substance (NCS). It is a mixture of several constituents, but seven of them represent more than 90% of that mixture.

Literature provided data for these 7 major components :

Constituent names  CAS nr  Partition Coefficient Log Kow source
linalool (ca 60%)  78 -70 -6 2.97 HSDB
camphor (ca 13%)  76 -22 -2 2.38 HSDB
cis ocimene / beta ocimene  (ca 7%)  3338-55-4 4.80 EPI suite v4.11 -

OWWIN v1.68
 terpinene-4-ol (ca 3%)  562-74-3 3.26 HSDB
 limonene (ca 1%)  5989-27-5 4.57 HSDB
 linalyle acetate (ca 1%)  115-95-7 3.93 HSDB
 eucalyptol (ca 1.5%)  470-82-6

2.74

 HSDB

The substance contains several constituents, such as beta ocimene and limonene, with a logKow>4

Based on the log Kow of such constituents, the substance has POTENTIAL FOR BIOACCUMULATION (logKow>4)

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 2.38 and 4.80.