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EC number: 222-581-1 | CAS number: 3539-43-3
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Test Guideline 442E: human Cell Line Activation Test (h-CLAT)
- Version / remarks:
- The human Cell Line Activation Test (h-CLAT) method as detailed in OECD TG 442E (adopted 25 Jun 2018) and also in EURL ECVAM DB-ALM Protocol No. 158 human Cell Line Activation Test (h-CLAT); Skin Sensitisation and Allergic Contact Dermatitis (Issued: 23 Jul 2018).
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of dendritic cells
- Justification for non-LLNA method:
- Skin sensitisers have been reported to induce the expression of cell membrane markers associated with Dendritic Cell (DC) activation. The h-CLAT method is an in vitro assay that quantifies these changes in cell surface marker expression (i.e. CD86 and CD54) on a human monocytic leukaemia cell line, THP-1 cells (a cell line that mimics DCs), following 24-hour exposure to the test item. The changes of surface marker expression are measured by flow cytometry following cell staining with fluorochrome-tagged antibodies. Cytotoxicity measurement is also conducted concurrently to assess whether upregulation of surface marker expression occurs at sub-cytotoxic concentrations. The relative fluorescence intensity of surface markers compared to the solvent/vehicle control are calculated and used in the prediction model, to support the discrimination between sensitisers and non-sensitisers.
Test material
- Reference substance name:
- Hexadecyl dihydrogen phosphate
- EC Number:
- 222-581-1
- EC Name:
- Hexadecyl dihydrogen phosphate
- Cas Number:
- 3539-43-3
- Molecular formula:
- C16H35O4P
- IUPAC Name:
- hexadecyl dihydrogen phosphate
- Test material form:
- solid: particulate/powder
- Details on test material:
- Product commercial name is ColaFax CPE
Constituent 1
- Specific details on test material used for the study:
- Supplier Batch/Lot Number: 64252F18
CAS Number: 3539-43-3
Purity: 100%
In vitro test system
- Details on the study design:
- Summary of the test method is as follows:
Solubility assessment
Dose range finding experiment (CV75)
• Seed Cells for CV75 (two independent runs)
• Dose cells for CV75 (two independent runs)
• Detect live/dead cells using flow cytometry (two independent runs)
• Data analysis and CV75 determination
CD54/86 expression measurement
• Seed cells for h-CLAT CD54 and CD86 expression (four independent runs)
• Dose cells for h-CLAT CD54 and CD86 expression (four independent runs)
• Detect CD54 and 86 expression using flow cytometry (four independent runs)
• Data analysis and classification of test item
Results and discussion
- Positive control results:
- Positive Control - CV75
Reference Item name 2,4-dinitrochlorobenzene (DNCB)
Lot number BCBP8259V
Purity 99.5%
Expiry 20FEB24
Concentration tested 8µg/ml (final)
Solvent Dimethyl sulphoxide (DMSO; Neat)
CV75 Acceptance Criteria
Cell viability must be ≥ 75% at the lowest dose.
The highest test item concentration should produce cytotoxicity (< 90% cell viability) unless 5mg/ml in medium, 1mg/ml in DMSO or the highest soluble concentration is used as the maximal test concentration of a test item.
Positive Control - CD54 and CD86 Expression
Reference Item name Nickel Sulphate
Lot number SZBF2960V
Purity 99.4%
Expiry 15JUN29
Concentration tested 100µg/ml (final)
Solvent RPMI (culture medium)
CD54/CD86 Expression: Run acceptance criteria
Cell viability of medium and DMSO controls should be greater than 90%
In the positive control (Nickel Sulphate; 100µg/ml), RFI values of both CD86 and CD54 should meet the criteria for a positive result (CD86 ≥ 150 and CD54 ≥ 200) and cell viability should be > 50%
In the DMSO solvent control, RFI values compared to the medium control of both CD86 and CD54 should not cross the threshold that denotes a positive response (CD86 ≥ 150 and CD54 ≥ 200)
For both medium and DMSO controls, the MFI ratio of both CD86 and CD54 to isotype control should be > 105%
Acceptance criteria for all controls and the test item were met in both runs for the CV75 determination and for the measurement of CD54 and CD86 expression.
In vitro / in chemico
Results
- Key result
- Parameter:
- other: CV75
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: For 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) the CV75 was unable to be determined as the test item did not reduce cell viability below 75%
- Remarks:
- For 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) the CV75 was unable to be determined as the test item did not reduce cell viability below 75% As the expression threshold for CD54 was only crossed in one repetition (at the lowest four concentrations tested) and the expression threshold for CD86 was not crossed in any repetitions performed, 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) was classified as Negative as per the prediction model. This result should be considered in the context of the Log Kow value being unknown for the test item.
- Other effects / acceptance of results:
- Prior to the CV75 determination, the test item was assessed for solubility and was found to be soluble in DMSO at 250 mg/ml.
A Log Kow value was unable to be provided by the sponsor and the result reported here should be considered in the context of this.
The CV75 value was not able to be determined from two independent runs as the cell viability did not fall below 75%.
Acceptance criteria for all controls and the test item were met in both runs for the CV75 determination and for the measurement of CD54 and CD86 expression
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In this study, the skin sensitisation potential of 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) was assessed using the In Vitro human Cell Line Activation Test (h-CLAT) method according to OECD Test Guideline 442E. After a 24h incubation with the test item the expression of cell surface markers CD54 and CD86 on THP-1 cells was measured by flow cytometry.
For 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) the dose that gave 75% cell viability was not determined as the viability was not decreased below 75% by the test item. CD54 crossed the expression threshold for rep 1, however the thresholds for CD54 and CD86 marker expression were not crossed in the subsequent repetitions, and therefore, 1-Hexadecanol, 1-(dihydrogen phosphate), (ColaFax CPE) was classified as Negative as per the prediction model. A Log Kow value was not able to be provided by the Sponsor, and therefore the result should be considered in the context of this.
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