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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 202-461-5 | CAS number: 95-87-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2006-10-31 - 2006-11-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: see 'Version / remarks'
- Version / remarks:
- "Methods of Testing New Chemical Substances, Etc.” (Pharmaceuticals and Medical Devices Agency Notification No. 1121002 on November 21, 2003, Manufacturing Industries Policy No. 2 on November 13, 2003, and the Ministry of Environment, the Environmental Policy Office Notification No. 031121002, partially revised on April 1, 2005) (Partition Coefficient Measurement Test in Water and 1-Octanol)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Storage conditions and stability confirmation under the storage conditions
Storage conditions Stored in a cool and dark place
Stability confirmation Based on the results of measuring the infrared absorption spectrum of the test substance before the start and after the end of the experiment, it was confirmed that both spectra matched and [the test substance] was stable under the storage conditions
Confirmation of the test substance
The spectra measured at Kurume Office was confirmed to match with the infrared absorption spectra described in the Spectral Database for Organic Compounds compiled by National Institute of Advanced Industrial Science and Technology - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 25 °C
- pH:
- 3
- Details on results:
- Regression equation of the regression line under the measurement conditions:
log Pow = 1.946 * log k + 1.785 (r = 0.998) - Conclusions:
- To obtain knowledge on the partition coefficient of K-1227D in water and 1-octanol. The partition coefficient of 2,5-xylenol was measured as log Pow = 2.6 at 25 °C and a pH-value of 3.
- Executive summary:
According to OECD Guideline 117 and to "Methods of Testing New Chemical Substances, Etc." the partition coefficient of 2,5-xylenol was measured. The partition coefficient of 2,5-xylenol was measured as log Pow = 2.6 at 25 °C and a pH-value of 3.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- according to guideline
- Guideline:
- other: no data
- GLP compliance:
- no
- Type:
- log Pow
- Partition coefficient:
- 2.34
- Temp.:
- 25 °C
- Remarks on result:
- other: handbook data, pH value not given
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 2.2
- pH:
- >= 5 - <= 8
- Remarks on result:
- other: room temperature assumed
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- according to guideline
- Guideline:
- other: no data
- GLP compliance:
- no
- Type:
- log Pow
- Partition coefficient:
- 2.33
- Remarks on result:
- other: handbook data, pH and temperature not given
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: no data
- GLP compliance:
- no
- Partition coefficient:
- 2.61
- Remarks on result:
- other: pH value and temperature not given
Referenceopen allclose all
Name of the substance measured | tR | k | log k | log Pow | |
Standard substance | (For dead time measurement: t0) Thiourea |
2.02 2.02 |
Average t0 = 2.02 | ||
Phenol | 3.42 3.42 |
0.693 0.693 |
-0.159 -0.159 |
1.5 1.5 |
|
p-cresol | 4.55 4.55 |
1.252 1.252 |
0.098 0.098 |
1.9 1.9 |
|
4-chlorophenol | 5.92 5.92 |
1.931 1.931 |
0.286 0.286 |
2.4 2.4 |
|
1-naphthol | 8.07 8.07 |
2.995 2.995 |
0.476 0.476 |
2.7 2.7 |
|
4-phenyl phenol | 12.60 12.60 |
5.238 5.238 |
0.719 0.719 |
3.2 3.2 |
|
2,4,6-trichloro phenol | 21.73 21.75 |
9.757 9.767 |
0.989 0.990 |
3.7 3.7 |
|
Test substance | 2,5-xylenol | 7.03 7.03 |
2.480 2.480 |
0.394 0.394 |
2.6 2.6 |
Average Partition Coefficient (n-octanol/water): 2.20 ± 0.09
Mobile phase [Acetonitrile : water] |
Retention time [min.] |
log P (interpolated) |
1:1 | 3.4 | 2.10 |
3:2 | 2.72 | 2.26 |
2:3 | 4.33 | 2.23 |
Description of key information
log Kow = 2.6 at 25 °C and pH3 (undissociated form)
(OECD TG 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.6
- at the temperature of:
- 25 °C
Additional information
log Kow values in the range 2.2 to 2.6 were determined by HPLC method, found in handbooks, and calculated by QSAR. In a weight of evidence approach the log Kow = 2.6 at 25 °C and pH3 was chosen as key value for chemical safety assessment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.