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EC number: 304-059-6 | CAS number: 94233-27-9
- 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
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:
- 2017 July to 2017 September
- 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 (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Supplier: Borica Co., Ltd.
- Lot number: 200520P
- Expiration date of the lot/batch: 2018-Feb-19
- CAS number: 94233-27-9 - Test system:
- human skin model
- Source species:
- human
- Cell type:
- non-transformed keratinocytes
- Vehicle:
- unchanged (no vehicle)
- Details on test system:
- EpiDerm (EPI-200-MatTek Corporation) was used as reconstructed human epidermal model. It consisted of normal human-derived epidermal keratinocytes which have been cultured to form a multi-layered highly differentiated model of the human epidermis. It consisted of organized basal, spinous and granular layers and a multi-layered stratum corneum containing intercellular lamellar lipid layers arranged in patterns analogous to those found in vivo.
RECONSTRUCTED HUMAN EPIDERMIS (RHE) TISSUE
- Model used: EpiDerm™ (EPI-200) RECONSTRUCTED HUMAN EPIDERMIS
- Tissue batch number(s): 25837
- Date of initiation of testing: 2017-Jul-13
PREDICTION MODEL / DECISION CRITERIA (choose relevant statement)
- The test substance is considered to be corrosive to skin if [complete, e.g. the viability after 3 minutes exposure is less than 50%, or if the viability after 3 minutes exposure is greater than or equal to 50 % and the viability after 1 hour exposure is less than 15%.]
- The test substance is considered to be non-corrosive to skin if [complete, e.g. the viability after 3 minutes exposure is greater than or equal to 50% and the viability after 1 hour exposure is greater than or equal to 15%.] - Control samples:
- yes, concurrent negative control
- yes, concurrent positive control
- Amount/concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 30 microliter neat test material
VEHICLE
- Not used
NEGATIVE CONTROL
- Amount(s) applied (volume or weight): 30 microliter Sterile Dulbecco's phosphate buffered saline (DPBS)
- Concentration (if solution): neat
POSITIVE CONTROL
- Amount(s) applied (volume or weight): 30 microliter Sodium dodecyl sulphate (SDS)
- Concentration (if solution): 5% - Duration of treatment / exposure:
- 60 +/- 1 minutes (25 minutes at room temperature and 35 minutes at 37°C, 5% CO2, >=95% RH)
- Duration of post-treatment incubation (if applicable):
- 42 +/- 4 h hours post-treatment incubation.
- Number of replicates:
- 3 repliecate per run.
- Vehicle:
- unchanged (no vehicle)
- Irritation / corrosion parameter:
- % tissue viability
- Run / experiment:
- 3
- Value:
- ca. 4.55
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of irritation
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- A test item is considered to be an irritant (I) to skin in accordance with UN GHS Category 2 or EU R38 if the skin model viability after exposure and post-treatment incubation is ≤50%.
A test item may be considered as a non-irritant (NI) if the skin model viability after exposure and post-treatment incubation is > 50%.
The percentage of viability obtained with the test item Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was 4.551%, therefore it was considered as irritant to the skin. - Executive summary:
The skin irritation potential of Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was assessed in vitro according to OECD Test Guideline 439: In Vitro Skin irritation: Reconstructed Human Epidermis Test Method.
After 60 +/- 1 min exposure on the surface of the EpiDerm™ reconstructed human epidermis and a 42 +/- 4 h post-exposure incubation time, viability of the tissues was assessed and compared to the negative control. The percentage of viability obtained was 4.551% and therefore:
Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was classified as Irritant to the skin.
Reference
Table 2. Viability measurements after 60 min (+/- 1 min) of application and 42 h (+/- 4 h) post-incubation of test and reference items and controls.
Condition | Tissue # | Raw data | Blank corrected data | Mean OD | & of viability | ||
Aliquot 1 | Aliquot 2 | Aliquot 1 | Aliquot 2 | ||||
NC | Tissse 1 | 1.656 | 1.6 | 1.515 | 1.459 | 1.487 | 112.5 |
Tissue 2 | 1.392 | 1.458 | 1.251 | 1.317 | 1.284 | 97.1 | |
Tissue 3 | 1.346 | 1.325 | 1.205 | 1.184 | 1.195 | 90.4 | |
PC | Tissue 1 | 0.218 | 0.204 | 0.077 | 0.063 | 0.070 | 5.3 |
Tissue 2 | 0.19 | 0.188 | 0.049 | 0.047 | 0.048 | 3.6 | |
Tissue 3 | 0.179 | 0.19 | 0.038 | 0.049 | 0.044 | 3.3 | |
TA | Tissue 1 | 0.239 | 0.233 | 0.098 | 0.092 | 0.095 | 7.2 |
Tissue 2 | 0.2 | 0.197 | 0.059 | 0.056 | 0.058 | 4.4 | |
Tissue 3 | 0.168 | 0.169 | 0.027 | 0.028 | 0.028 | 2.1 |
Table 3. Mean and SD of cell viability measurements and of viability precentages after 60 min (+/- 1 min) of application and 42 h (+/-4 h) post-incubation.
Name | Code | Mean of OD | SD of OD | Mean of viability (%) | SD of viability (%) | CV (%) | Classification |
DPBS | NC | 1.322 | 0.150 | 100.0 | 11.34 | 11.34 | Non-irritant |
SDS 5% | PC | 0.054 | 0.014 | 4.085 | 1.07 | 26.26 | Irritant |
Test item | TA | 0.060 | 0.034 | 4.551 | 2.56 | 56.21 | Irritant |
Predition model: test items that reduce the viability to 50% or below are irritant (I); test items with a percentage viability above 50% are considered to be non-irritant (NI).
Notes:
NC: Negative control
PC: Positive control
TA: Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017 July to 2017 September
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 492 (Reconstructed Human Cornea-like Epithelium (RhCE) Test Method for Identifying Chemicals Not Requiring Classification and Labelling for Eye Irritation or Serious Eye Damage)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Supplier: Borica Co., Ltd.
- Source and lot/batch No.of test material: Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium
- CAS no.: 94233-27-9
- Expiration date: 2018-Feb-19
- Batch number: 200520P - Vehicle:
- unchanged (no vehicle)
- Controls:
- yes, concurrent positive control
- yes, concurrent negative control
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 50 microliter
- Concentration (if solution): neat
VEHICLE
- Not used - Duration of treatment / exposure:
- 30 minutes +/- 2 min
- Duration of post- treatment incubation (in vitro):
- 12 +/- 2 min post-treatment immersion and 2 hours +/- 15 min post-treatment incubation.
- Number of animals or in vitro replicates:
- 3 replicates per run.
- Details on study design:
- - Details of the test procedure used
Prior to the study, the required compatibility checks confirmed that the test item interfered with MTT and therefore additional freeze killed negative controls (NC-FK) and freeze killed test item controls (TA-FK) were included in the assay to determine the background level of interference (manifesting as altered viability) produced by the test item. The level of viability measured in the interference controls was subtracted from the standard test viability value to give an adjusted final viability. No water colouration was observed and therefore colorant control was not required.
After pre-wetting tissues with 20 microliter PBS (Sterile Dulbecco’s phosphate buffered saline) for 30 +/- 2 min, single topical application of 50 microliter of neat test item or of reference items to the surface of the EpiOcular™ models for 30 +/- 2 min, followed by a 12 +/- 2 min post-treatment immersion, and 2 hr +/- 15 min post-treatment incubation, prior to the MTT endpoint; three tissues per condition (n = 3).
- RhCE tissue construct used, including batch number
EpiOcular™ EIT (OCL-200) Reconstructed Human Ocular Epithelium
Supplier: MatTek Corporation
Keratinocyte Strain: 4F1188
Lot number: 23799
Description of the RhCE tissue: The EpiOcular™ tissue model (OCL200-MatTek Corporation) is composed of stratified human keratinocytes in a three-dimensional structure, reflecting the morphology and function of the human corneal epithelium found in vivo.
- MTT test conditions
Spectrometer: BMG LabTech FluoStar Optima
Wavelength for O.D. measurements: 570 nm
- Positive and negative control means and acceptance ranges based on historical data
1. Mean OD570 of the negative control (treated with sterile water) tissues is > 0.8 and < 2.5.
2. Mean of the positive control relative percentage viability is below 50% of negative control viability after 30 +/- 2 minutes exposure.
- Acceptable variability between tissue replicates for positive, negative controls and test items
The SD between three tissues replicates should not exceed 18% in the same run (for negative and positive control tissues and tissues of test items). - Irritation parameter:
- other: Tissue viability
- Run / experiment:
- 1 run, 3 replicates per run
- Value:
- ca. 5.6
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of irritation
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- A Test item is considered to be irritant to the eye (i.e. would require labelling as either GHS 1 or 2) if they eye model viability after exposure and post-treatment incubation is ≤ 60%.
A test item is considered as a non-irritant to the eye (i.e. would not require a warning label in the European chemical classification systems) if the eye model viability after exposure and post-treatment incubation is > 60%.
The current assay is not intended to differentiate between GHS class 1 and GHS class 2 or R36 and R41 (degree of stromal damage).
The percentage of viability obtained with test item Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was 5.602%, therefore it is considered as Irritant to the eye. - Executive summary:
The eye irritation potential of Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was assessed in vitro according to OECD Test Guideline 492 (Reconstructed human Cornea-like Epithelium (RhCE) test method for identifying chemicals not requiring classification and labeling for eye irritation or serious eye damage).
After a 30 +/-2 minute exposure on the surface of EpiOcular™ reconstructed ocular epithelium and 2 h +/- 15 mins post-incubation time, the viability of the tissues was assessed and compared to a negative control. The percentage viability was 5.602% and therefore:
Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium was classified as Irritant to the human eye.
Reference
Table 2. Viability measurements after 30 +/- 2 min of application and 2 h +/- 15 min post-incubation of test and reference items.
Consition | Tissue# | Raw data | Blank corrected data | Mean OD | % of viability | ||
Aliquot 1 | Aliquot 2 | Aliquot 1 | Aliquot 2 | ||||
NC | Tissue 1 | 1.744 | 7.857 | 1.590 | 1.703 | 1.647 | 99.356 |
Tissue 2 | 1.751 | 1.857 | 1.597 | 1.703 | 1.650 | 99.568 | |
Tissue 3 | 1.799 | 1.859 | 1.645 | 1.705 | 1.675 | 101.076 | |
PC | Tissue 1 | 0.767 | 0.828 | 0.613 | 0.674 | 0.644 | 38.831 |
Tissue 2 | 0.557 | 0.579 | 0.403 | 0.425 | 0.414 | 24.982 | |
Tissue 3 | 0.646 | 0.677 | 0.492 | 0.523 | 0.508 | 30.625 | |
TA | Tissue 1 | 0.257 | 0.268 | 0.103 | 0.114 | 0.109 | 6.547 |
Tissue 2 | 0.277 | 0.263 | 0.123 | 0.109 | 0.116 | 7.000 | |
Tissue 3 | 0.258 | 0.266 | 0.104 | 0.112 | 0.108 | 6.517 |
Table 3. Mean and SD of viability measurements and of viability percentages after 30 +/- 2 min of application and 2 h +/- 15 min post-incubation of test and reference items.
Consition | Mean of OD | SD of OD | mean of viability % | SD of viability (%) | CV % | Classification |
NC | 1.657 | 0.016 | 100.00 | 0.938 | 0.938 | Non-irritant |
PC | 0.522 | 0.115 | 31.479 | 6.964 | 22.122 | Irritant |
TA | 0.111 | 0.004 | 6.688 | 0.270 | 4.043 | Irritant |
Table 4: Viability measurements after 30 +/- 2 min of application and 2 h +/- 15 min post-incubation of freeze killed (MTT interference) controls (NC-FK and TA-FK)
Condition | Tissue# | Raw data | Blan k corrected data | Mean OD | Mean OD NC-FK | Killed control viability% | ||
Aliquot 1 | Aliquot 2 | Aliquot 1 | Aliquot 2 | |||||
NC-FK | Tissue 1 | 0.215 | 0.219 | 0.071 | 0.075 | 0.073 | n/a | n/a |
Tissue 2 | 0.166 | 0.171 | 0.022 | 0.027 | 0.025 | n/a | n/a | |
TA-FK | Tissue 1 | 0.226 | 0.215 | 0.082 | 0.071 | 0.077 | 0.028 | 1.675 |
Tissue 2 | 0.199 | 0.203 | 0.055 | 0.059 | 0.057 | 0.008 | 0.498 |
Mean of freeze killed control viability = 1.086%. This value is subtracted from the overall viability derived for the test item (6.688%) to yield a final corrected viability
Table 5: Mean and SD of viability measurements and viability percentages for TA after correction with respect to freeze killed control viability.
Condition | Mean of viabilities (%) | SD | Corrected viability (%) | Classification |
NC | 100.0 | 0.938 | 100.0 | Non-irritant |
PC | 31.479 | 6.964 | 31.479 | Irritant |
TA | 6.688 | 0.270 | 5.602 | Irritant |
Note:
NC: Negative control (sterile H2O)
PC: neat methyl acetate
TA: Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin and eye irritation tests have been conducted on the target substance using alternativein vitromethods – OECD 439, reconstructed human epidermis, and OECD 492, reconstructed human cornea-like epithelium. The target substance was found irritating in the two tests.
As the target substance hydrolyses rapidly (half-life < 30 minutes) the intrinsic properties are related to hydrolysis products – 2-ethylhexanol and pentane-2,4-dione.
Pentane-2,4-dione is not irritating to skin and eyes. Animal studies on the primary irritancy of the substance demonstrated a low, if any irritation potential both to the skin and eyes after single exposure not leading to a classification as a skin and/or eye irritant evaluated. (UNEP 2001). The C&L database of the registered substance indicated not irritating to skin and eyes (https://echa.europa.eu).
Undiluted 2-ethylhexanol was severely irritating to the skin of rabbits (score 6.75 of 8, maximal), and was moderately irritating to they eyes of rabbits (score 28.6 of 110, maximal), in acute studies according to OECD guideline 404 and 405 (BG-Chemie, 1995). In addition to skin and eye irritation, 2 -EH may cause respiratory irritation at concentrations of 50 ppm or higher. The C&L database of the registered substance indicated specific target organ toxicity category 3 (respiratory tract) (STOT 3, H335). (https://echa.europa.eu).
Based on above findings, the target substance is therefore considered irritating to skin and eyes category 2, and specific target organ toxicity category 3 (respiratory tract) according to CLP regulations. In addition, the twoin vitrostudies serve as evidence that the toxicological properties of the target substance closed related to the hydrolysis products.
Justification for classification or non-classification
Based on results of alternativein vitromethods, OECD 439 and OECD 492, tested on the target substance, the results indicated irritating to skin and eyes.
The hydrolysis products, 2-ethylhexanol, have also been found irritating to skin, irritating to eyes category 2 and specific target organ toxicty (respiratory tract) category 3. Therefore, the target substance was classified as
Skin irritating Category 2, H315
Eye irritating Category 2, H319
Specific target organ toxicity (respiratory tract) Category 3, H335
according to CLP regulation.
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