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EC number: 212-611-1 | CAS number: 831-82-3
- 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
Endpoint summary
Administrative data
Description of key information
Skin irritation
An OECD guideline 439 test concluded that 4 -PhenoxyPhenol is classified as irritating or corrosive to skin due to the absence of information on a skin corrosion test.
The result of the OECD QSAR Toolbox (read-across approach) indicates that 4 -Phenoxyphenol is predicted as not irritating/ corrosive.
Consequently, 4 -Phenoxyphenol is considered as not corrosive and the final result of the OECD guideline n°439 test is irritant. 4 -Phenoxyphenol is classified as skin irritant (H315).
This classification is confirmed by the results of the OECD guideline n°429 (LLNA) and n°402 (Acute Toxicity Dermal) which indicate:
- 4 -Phenoxyphenol has to be considered as not excessively irritant at 60% (OECD n°429)
- no corrosive/ irritant effect has been observed (OECD n°402)
Eye irritation
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6. From some of the statistical analyses (ECETOC TRA, Report n°48 - June 1998), all the substances that have a MMAS range between 30-40 are classified H319 (irritating to eyes).
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 439 (In Vitro Skin Irritation: Reconstructed Human Epidermis Test Method)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- batch No.of test material: n°batch 20180328
- Expiration date of the lot/batch: March 2019
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature
- Reactivity of the test substance with MTT : Yes (no direct interaction and there is no need to add non-specific coloration controls to the study)
- Test system:
- human skin model
- Source species:
- human
- Cell type:
- non-transformed keratinocytes
- Cell source:
- other: SkinEthic RHE® model
- Details on test system:
- Test model :
- Source: EPISKIN - reconstructed human epidermis - supplied by SkinEthic Laboratories, Nice, France
- batch: 18-RHE-060
- Received : 05 June 2018
- Maintenance medium : Episkin SA, batch No. 18 SMM 021
- Quality control : histological observation, cell viability and barrier fucton integrity test - Control samples:
- yes, concurrent negative control
- yes, concurrent positive control
- Amount/concentration applied:
- TEST MATERIAL
- 3 replicates
NEGATIVE CONTROL
- 3 replicates
POSITIVE CONTROL
- 3 replicates
REMOVAL OF TEST SUBSTANCE
- Washing: Yes with 25 x 1 mL of DPBS (Dutscher - Batch No. 9120318).
- Time after start of exposure: 42 minutes
OBSERVATION
The cell viability was quantified by measurement of the cell succinate dehydrogenase activity
The measured Optical Density (OD), after extraction from tissues, are proportional to the number of living cells.
SCORING SYSTEM:
For each tissue, OD values and calculated percentage cell viability data for the test item, positive and negative controls, - Duration of treatment / exposure:
- 42 minutes
- Duration of post-treatment incubation (if applicable):
- 42 hoours
- Number of replicates:
- 3
- Irritation / corrosion parameter:
- % tissue viability
- Value:
- ca. 2.1
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks:
- 1.7%
- Remarks on result:
- positive indication of irritation
- Remarks:
- mean score from three replicates
- Interpretation of results:
- other: Irritant or corrosive
- Conclusions:
- The mean percent viability of the treated tissues was 2.1%, versus 1.7% in the positive control (5% Sodium Dodecyl Sulfate).
In accordance with the Regulation EC No. 1272/2008 and in absence of information on skin corrosion, the test item Paraphenoxyphenol has to be classified in Category 2 “Irritating to skin” or in Category 1 “Corrosive”. - Executive summary:
In accordance with the OECD guideline n°439, the test item Paraphenoxyphenol was applied as supplied, during 42 minutes, at the dose of 16 mg, to 3 living Reconstructed Human epidermis (SkinEthic RHE® model) previously moistened with 10 μL of distilled water. The application was followed by a rinse with 25 mL of DPBS and a 42 hours post-incubation period at 37°C, 5% CO2. Cell viability was then measured by enzymatic conversion of the vital dye MTT into a blue formazan salt that was quantitatively measured after extraction from tissues.
The mean percent viability of the treated tissues was 2.1%, versus 1.7% in the positive control (5% Sodium Dodecyl Sulfate).
In accordance with the Regulation EC No. 1272/2008 and in absence of information on skin corrosion, the test item Paraphenoxyphenol has to be classified in Category 2 “Irritating to skin” or in Category 1 “Corrosive”.
- Endpoint:
- skin irritation: in vivo
- 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
- Justification for type of information:
- 1. SOFTWARE and Model
OECD QSAR ToolBox 4.2
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
NAME : Phenol, 4-phenoxy-
CAS Number : 831-82-3
3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/
4. ADEQUACY OF THE RESULT
See "QPRF_Classification-Skin-Irritation_PhenoxyPhenol-ToolBow_V1" in attached justification - Guideline:
- other: REACH guidance on QSARs R.6
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
- Irritation parameter:
- other: Classification
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- Not irritating
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the OECD QSAR Toolbox (read-across approach), 4-Phenoxyphenol is predicted as not irritating.
- Executive summary:
Based on the OECD QSAR Toolbox (read-across approach), 4-Phenoxyphenol is predicted as not irritating.
Referenceopen allclose all
Assessment of the skin irritation – individual and average values of OD after 42 minutes exposure
Application: 16 mg of the test item on 0.50 cm² human skin model
|
N° |
OD |
Mean OD/ disc |
Mean OD/ product |
Viability % |
Mean Viability % |
SD viability |
Conclusion |
Negative control |
1 |
0.646 |
0.598 |
108.0 |
100 |
7.0 |
7.0 |
- |
2 |
0.573 |
95.8 |
||||||
3 |
0.575 |
96.2 |
||||||
Positive control |
1 |
0.010 |
0.010 |
1.7 |
1.7 |
0.1 |
0.1 |
Irritant |
2 |
0.011 |
1.8 |
||||||
3 |
0.010 |
1.7 |
||||||
Test item |
1 |
0.010 |
0.012 |
1.7 |
2.1 |
0.4 |
0.4 |
Irritant or corrosive |
2 |
0.015 |
2.5 |
||||||
3 |
0.012 |
2.0 |
Based on the OECD QSAR Toolbox (read-across approach), 4-Phenoxyphenol is predicted as not irritating.
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE and Model
OECD QSAR ToolBox 4.2
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
NAME : Phenol, 4-phenoxy-
CAS Number : 831-82-3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/
5. ADEQUACY OF THE RESULT
The MMAS value is used for the CLP classification after comparison with substances with the same MMAS range - Guideline:
- other: REACH guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: QSAR Toolbox 4.2
- Model description: see field 'Justification for type of information"
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
- Species:
- rabbit
- Irritation parameter:
- other: MMAS
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- ca. 37.6
- Remarks on result:
- other: QSAR predicted value
- Irritation parameter:
- other: MMAS
- Basis:
- mean
- Score:
- > 14.1 - < 61.1
- Remarks on result:
- other: QSAR predicted value
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6.
From some of the statistical analyses (ECETOC TRA, Report n°48 - June 1998), The MMAS were divided into three categories:
- MMAS <25; no/mild irritation
- 25≤ MMAS <59; moderate irritation
- MMAS ≥59; and strong irritant
And on the basis of ECETOC TRA, Report n°48, all the substances that have a MMAS range betwwen 30-40 are classified H319 (irritating to eyes).
4-Phenoxyphenol is a moderate irritant classified H319 (Category 2 - Irritating to eyes) - Executive summary:
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6.
From some of the statistical analyses (ECETOC TRA, Report n°48 - June 1998), The MMAS were divided into three categories:
- MMAS <25; no/mild irritation
- 25≤ MMAS <59; moderate irritation
- MMAS ≥59; and strong irritant
And on the basis of ECETOC TRA, Report n°48, all the substances that have a MMAS range betwwen 30-40 are classified H319 (irritating to eyes).
4-Phenoxyphenol is a moderate irritant classified H319 (Category 2 - Irritating to eyes)
Reference
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
- the substance is classified irritant for skin and for eyes,
- and, due to their size, the particle can deposit in the respiratory tract
In a conservative approach since no data is available for the respiratory tract and since
the classification STOT SE Cat. 3, H335 (May cause respiratory irritation) is proposed.
Justification for classification or non-classification
- Skin irritation (Skin Irrit. Cat. 2, H315 - causes skin irritation)
- Eye irritation (Eye irritation Cat. 2, H319 - causes eye irritation)
- Specific Target Organ Toxicity (STOT SE Cat. 3, H335 - May cause respiratory irritation)
On the basis of the key studies, 4 -phenoxyphenol has be classified, according to the CLP regulation :
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