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EC number: 295-653-3 | CAS number: 92113-48-9
- 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
Skin irritation (OECD 404): not irritating
Eye irritation (OECD 405): not irritating
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- June 6th, 1989 - June 23rd, 1989
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions Limited details on test substance
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- Deviations:
- yes
- Remarks:
- Limited details on test substance
- GLP compliance:
- yes
- Species:
- rabbit
- Strain:
- other: Kleinrusse, Chbb:HM
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Fa. Thomae, Bieberach, Germany
- Weight at study initiation: mean: 2420 g
- Diet: Altromin 2023, ad libitum
- Water: ad libitum
- Acclimatisation: approx. 1 week
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 20-25
- Humidity (%): 45-70
- Photoperiod (hrs dark / hrs light):12/12 - Type of coverage:
- semiocclusive
- Preparation of test site:
- shaved
- Vehicle:
- unchanged (no vehicle)
- Controls:
- no
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.5 g - Duration of treatment / exposure:
- 4 h
- Observation period:
- 72 h
- Number of animals:
- 3
- Details on study design:
- TEST SITE
- Area of exposure: 6 cm²
SCORING SYSTEM: according to 84/449/EWG [Amtsblatt der Europäischen Gemeinschaft L 251/108] - Irritation parameter:
- erythema score
- Basis:
- animal: #1176
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0.7
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 h
- Irritation parameter:
- erythema score
- Basis:
- animal: #1177
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- erythema score
- Basis:
- animal: #1179
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- edema score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: No effects observed
- Interpretation of results:
- not irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
Reference
Erythema score
Animal Number |
1 h |
1 day |
2 days |
3 days |
1176 |
0 |
1 |
1 |
0 |
1177 |
0 |
1 |
0 |
0 |
1179 |
0 |
1 |
0 |
0 |
Oedema Score
Animal Number |
1 h |
1 day |
2 days |
3 days |
1176 |
0 |
0 |
0 |
0 |
1177 |
0 |
0 |
0 |
0 |
1179 |
0 |
0 |
0 |
0 |
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- July 10th, 1989 - July 13th, 1989
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions. Limited details on study substance
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Deviations:
- yes
- Remarks:
- Limited details on study substance
- GLP compliance:
- yes
- Species:
- rabbit
- Strain:
- other: Kleinrusse, Chbb
- Details on test animals or tissues and environmental conditions:
- TEST ANIMALS
- Source: Thomae, Biberach, Deutschland
- Age at study initiation: 6 months
- Weight at study initiation: 2550 g
- Diet: Altromin 2023 ad libitum
- Water:ad libitum
- Acclimation period: 1 week
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 20-25
- Humidity (%): 45-70
- Photoperiod (hrs dark / hrs light): 12/12 - Vehicle:
- unchanged (no vehicle)
- Controls:
- not required
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.1 ml (slightly warmed) - Duration of treatment / exposure:
- 24 h
- Observation period (in vivo):
- 72 h
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- REMOVAL OF TEST SUBSTANCE
- Washing (if done): Yes, rinsed with water
- Time after start of exposure: 24 h
SCORING SYSTEM: According to 84/449/EWG
TOOL USED TO ASSESS SCORE: fluorescein - Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: No effect
- Irritation parameter:
- iris score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0
- Max. score:
- 2
- Reversibility:
- not specified
- Remarks:
- No effect
- Irritation parameter:
- conjunctivae score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: 2 h4, 48 h and 72 h
- Score:
- 0
- Max. score:
- 3
- Reversibility:
- other: No effect
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: 24 h, 48 h and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: No effect
- Interpretation of results:
- not irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
Reference
Animal |
Hours after application |
|||||||||||||||||||
1 |
24 |
48 |
72 |
|||||||||||||||||
A |
B |
C |
D |
E |
A |
B |
C |
D |
E |
A |
B |
C |
D |
E |
A |
B |
C |
D |
E |
|
1192 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1193 |
0 |
0 |
1 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1195 |
0 |
0 |
1 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
A = Corneal Score
B = Iris Score
C = Erythema Score
D = Chemosis Score
E = Exsudation Score
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for grouping of substances and read-across
There are not sufficient data available for the skin and eye irritating properties of Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol (CAS 92113-48-9). In order to fulfil the standard information requirements set out in Annex VIII, 8.1.1 and 8.2.1, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from a structurally related substance was conducted.
In accordance with Article 13 (1) of Regulation (EC) No 1907/2006, "information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.” In particular, information shall be generated whenever possible by means other than vertebrate animal tests, which includes the use of information from structurally related substances (grouping or read-across).
Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, 1.5, of Regulation (EC) No 1907/2006, whereby physicochemical, toxicological and ecotoxicological properties may be predicted from data for reference substance(s) by interpolation to other substances on the basis of structural similarity, Fatty acids, C16-18, triesters with trimethylolpropane (CAS 91050-90-7) is selected as source substance for assessment of in vivo skin and eye irritation.
Irritation/Corrosion
CAS |
92113-48-9 (a) |
91050-90-7 (b) |
Chemical name |
Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol |
Fatty acids, C16-18, triesters with trimethylolpropane |
MW |
512.8 – 975.5 |
849.40 - 933.56 g/mol |
Skin corrosion (in vitro) |
Experimental result: |
-- |
Skin irritation (in vivo) |
RA: CAS 91050-90-7 |
Experimental result: |
Eye corrosion (in vitro) |
Experimental result: |
-- |
Eye irritation (in vivo) |
RA: CAS 91050-90-7 |
Experimental result: |
(a) The substance subject to the REACh Phase-in registration deadline of 31 May 2013 is indicated in bold font. Only for this substance a full set of experimental results and/or read-across is given.
(b) Reference (read-across) substances are indicated in normal font. Lack of data for a given endpoint is indicated by “--“.
The above mentioned substances are considered to be similar on the basis of the similarities in structure, properties and/or activities. The available endpoint information is used to predict the same endpoint for Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol (CAS 92113-48-9).
A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Discussion
Skin irritation/corrosion
An in vitro skin corrosion study was performed with the target substance according to OECD 431 and in compliance with GLP (Wingenroth, 2012). 50 µl of the test substance were applied to a three-dimensional reconstructed human epidermis model (EST-1000) for 3 and 60 min under open conditions. After the treatment, the cell viability was measured by means of the MTT reduction assay. Relative cell viabilities of 99.9% and 103.7% were observed for the 3 and 60 min treatments, respectively. Classification was done in accordance with the existing guideline and internationally accepted protocols, i.e. viability after 3 min and/or less than 15% viability after a 60 min incubation period. The test item was characterised by no significant impact on cell viability after 3 min or after the 60 min period. In conclusion, Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol is not corrosive.
For assessment of the irritating potential, the results from an OECD 404 GLP-study with the analogue substance Fatty acids, C16-18, triesters with trimethylolpropane were used for read-across (Steiling, 1989). Semi-occlusive treatment for 4 h resulted in slight erythema in all 3 rabbits after 24 h; in one case (animal 1), erythema remained up to 48 h. The finding was fully reversible for all 3 animals within 72 h. No edema was seen in any animal throughout the whole study. The mean erythema scores over 24, 48, and 72 h for each animal were 0.7, 0.3, and 0.3, respectively. Thus, Fatty acids, C16-18, triesters with trimethylolpropane is considered to be not skin irritating.
Eye irritation/corrosion
An in vitro eye corrosion study was performed with the target substance according to OECD 437 (BCOP) and in compliance with GLP (Stelter, 2012). 750 µl of the test substance were applied to three eyes from cattle for 10 min. Afterwards the substance was removed and the epithelium was washed at least three times. The corneal opacity was determined via an opacitometer. For the determination of the corneal permeability sodium fluorescein solution was added to the anterior chamber of the cornea holder while the posterior chamber was filled with fresh medium. The amount of sodium fluorescein that crosses into the posterior chamber was quantitatively measured via UV/VIS spectrophotometry at 490 nm recorded as optical density (OD490). Based on the results of the opacity and permeability measurements, the in-vitro irritancy score (IVIS) was calculated. The IVIS value was 20.83 for the test substance. For a positive result the IVIS is = 55.1. In conclusion, Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol is not a severe eye irritant or corrosive to the eye.
For assessment of the irritating potential, the results from an OECD 405 GLP-study with the analogue substance Fatty acids, C16-18, triesters with trimethylolpropane were used for read-across (Steiling, 1989). Three rabbits were treated with 0.1 mL of the test substance. After 24 h the eyes were rinsed with water. The eyes were scored at 1, 24, 48, and 72 h. Redness of the conjuctivae of grade 1 was seen in all 3 animals at reading time point 1 h. In 2 cases this was accompanied by exudation. These effects disappeared within 24 h. The mean scores for cornea, iris, conjunctivae, and chemosis over 24, 48, and 72 were 0. Thus, Fatty acids, C16-18, triesters with trimethylolpropane has no eye irritating properties.
Conclusion
Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol was not corrosive to the skin and to the eye in vitro. In addition, the analogue substance Fatty acids, C16-18, triesters with trimethylolpropane is not irritating to the skin and eyes in vivo. In conclusion, based on experimental results and data from an analogue substance, Fatty acids, C14-18 and C16-18-unsatd., mixed esters with castor oil, castor oil fatty acids, 2-ethylhexanoic acid and 2,2-bis(hydroxymethyl)-1-butanol is considerd to be not irritating to skin and eyes.
Justification for selection of skin irritation / corrosion endpoint:
The selected study is the most adequate and reliable study based on overall quality assessment (refer to the endpoint discussion for further details).
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall assessment of quality, duration and dose descriptor level (refer to the endpoint discussion for further details).
Justification for selection of eye irritation endpoint:
The selected study is the most adequate and reliable study based on overall quality assessment (refer to the endpoint discussion for further details).
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall assessment of quality, duration and dose descriptor level (refer to the endpoint discussion for further details).
Justification for classification or non-classification
Based on substance specific studies and read-across following an analogue approach, the available data on the skin and eye irritation potential do not meet the classification criteria according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and are therefore conclusive but not sufficient for classification.
There are no data available on respiratory irritation.
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.
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