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EC number: 270-287-7 | CAS number: 68424-27-1 This substance is identified by SDA Substance Name: C16 and C18 unsaturated trialkyl carboxylic acid trimethylolpropane triester and SDA Reporting Number: 09-015-00.
- 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

Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vivo
- Type of information:
- other: data sharing dispute
- Adequacy of study:
- key study
- Study period:
- 31 Jan - 07 Feb 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP-guideline study with acceptable restrictions (no data on analytical purity; no eye washing performed after treatment)
- Justification for type of information:
- Guidance on registration Reference: ECHA-16-G-06-EN Publ.date:November 2016
Practical guide 2: How to report weight of evidence - Reference: ECHA-10-B-05-EN Publ.date: 24/03/2010
"Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008)
According to Article 13 of Regulation (EC) No. 1907/2006 "General Requirements for Generation of Information on Intrinsic Properties of substances", information on intrinsic properties of substances may be generated by means other than tests e.g. from information from structurally related substances (grouping or read-across), provided that conditions set out in Annex XI are met. Annex XI, "General rules for adaptation of this standard testing regime set out in Annexes VII to X” states that “substances whose physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity may be considered as a group, or ‘category’ of substances. This avoids the need to test every substance for every endpoint".Since the category concept is applied to the polyol esters, data gaps will be filled by interpolation, as part of a read across approach from a representative category member(s) to avoid unnecessary animal testing. Additionally, once the category concept is applied, substances will be classified and labelled on this basis.Therefore, based on the group concept, all available data on repeated dose toxicity do not meet the classification criteria according to Regulation.
See Category Justification Document Point enclosed at 13.2
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- eye irritation, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- November 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
Guidance on registration Reference: ECHA-16-G-06-EN Publ.date:November 2016
Practical guide 2: How to report weight of evidence - Reference: ECHA-10-B-05-EN Publ.date: 24/03/2010
"Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008)- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.
Gerner, I., Liebsch, M., Spielmann, H. (2005). Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: the use of QSARs and in vitro tests for the classification of eye irritation. Alternatives to Laboratory Animals 33, 215-237. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CC)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COC(CCCCCCC\C=C/CCCCCCCC)=O
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritant to eyes
Q1.Melting Point[℃] > 200 No C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CC)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COC(CCCCCCC\C=C/CCCCCCCC)=O
Q2.LogP>9.0 Yes Class NOT lesions R34, R35, R36 or R41 C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CC)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COC(CCCCCCC\C=C/CCCCCCCC)=O
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- eye irritation, other
- Remarks:
- Draize test - in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- November 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
Guidance on registration Reference: ECHA-16-G-06-EN Publ.date:November 2016
Practical guide 2: How to report weight of evidence - Reference: ECHA-10-B-05-EN Publ.date: 24/03/2010
"Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008)- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.
Gerner, I., Liebsch, M., Spielmann, H. (2005). Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: the use of QSARs and in vitro tests for the classification of eye irritation. Alternatives to Laboratory Animals 33, 215-237. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES STRING C(\CCCCCCCC)=C/CCCCCCCC(OCC(CC)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)=O
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritant to eyes
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- eye irritation, other
- Remarks:
- Draize test - in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- November 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Guidance on registration Reference: ECHA-16-G-06-EN Publ.date:November 2016
Practical guide 2: How to report weight of evidence - Reference: ECHA-10-B-05-EN Publ.date: 24/03/2010
"Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008) - Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- Estimates eye irritation and corrosion potential by physicochemical property ranges and structural rules.
Gerner, I., Liebsch, M., Spielmann, H. (2005). Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: the use of QSARs and in vitro tests for the classification of eye irritation. Alternatives to Laboratory Animals 33, 215-237. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES descriptor used for prediction: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)CO
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritant to eyes
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- eye irritation: in vivo
- Type of information:
- other: data sharing dispute
- Adequacy of study:
- key study
- Study period:
- 10 July - 13 July 1989
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions (only few data on test substance given)
- Justification for type of information:
- Guidance on registration Reference: ECHA-16-G-06-EN Publ.date:November 2016
Practical guide 2: How to report weight of evidence - Reference: ECHA-10-B-05-EN Publ.date: 24/03/2010
"Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals" (ECHA 2008)
According to Article 13 of Regulation (EC) No. 1907/2006 "General Requirements for Generation of Information on Intrinsic Properties of substances", information on intrinsic properties of substances may be generated by means other than tests e.g. from information from structurally related substances (grouping or read-across), provided that conditions set out in Annex XI are met. Annex XI, "General rules for adaptation of this standard testing regime set out in Annexes VII to X” states that “substances whose physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity may be considered as a group, or ‘category’ of substances. This avoids the need to test every substance for every endpoint".Since the category concept is applied to the polyol esters, data gaps will be filled by interpolation, as part of a read across approach from a representative category member(s) to avoid unnecessary animal testing. Additionally, once the category concept is applied, substances will be classified and labelled on this basis.Therefore, based on the group concept, all available data on repeated dose toxicity do not meet the classification criteria according to Regulation.
See Category Justification Document Point enclosed at 13.2 - Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Reason / purpose for cross-reference:
- other: weight of evidence
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Deviations:
- yes
- Remarks:
- only few details on study substance
- GLP compliance:
- yes
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): only trade name given
- Physical state: solid, white
- Analytical purity: not reported - Species:
- rabbit
- Strain:
- other: Kleinrusse, Chbb
- Details on test animals or tissues and environmental conditions:
- TEST ANIMALS
- Source: Thomae, Biberach, Germany
- Age at study initiation: 6 months
- Weight at study initiation: 2.6 kg
- Housing: individually in rabbit-battery
- Diet: Altromin 2023 ad libitum
- Water: tap 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:
- other: the untreated eye served as control
- 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
Reading time points: 1, 24, 48, 72 h - Number of animals or in vitro replicates:
- 3 MALES
- Details on study design:
- REMOVAL OF TEST SUBSTANCE
- Washing (if done): Yes, rinsed with water
- Time after start of exposure: 24 h
SCORING SYSTEM: Draize scoring system
TOOL USED TO ASSESS SCORE: fluorescein - Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Remarks:
- OF ALL THREE ANIMALS
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- iris score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 2
- Reversibility:
- not specified
- Remarks:
- reversibility not applicable
- Irritation parameter:
- conjunctivae score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 3
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Remarks:
- of all three animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Irritant / corrosive response data:
- Redness of the conjuctivae of grade 1 was seen in all 3 animals at reading time point 1 h only. In 2 cases this was accompanied by exudation. These effects disappeared within 24 h.
- Interpretation of results:
- GHS criteria not met
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- CLP: not classified
DSD: not classified
Table 1: Eye irritation scores
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 |
|
1 |
0 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2 |
0 |
0 |
1 |
0 |
1 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3 |
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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Version / remarks:
- adopted in 1987
- Deviations:
- yes
- Remarks:
- no data on analytical purity; no eye washing performed after treatment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method B.5 (Acute Toxicity: Eye Irritation / Corrosion)
- Version / remarks:
- adopted in 1992
- Deviations:
- yes
- Remarks:
- Department of health of the government of the United Kingdom, UK
Test material
- Reference substance name:
- Fatty acids, C16-18 and C18-unsatd., branched and linear, esters with trimethylolpropane
- Cas Number:
- 403507-18-6
- IUPAC Name:
- Fatty acids, C16-18 and C18-unsatd., branched and linear, esters with trimethylolpropane
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): only trade name given
- Physical state: dark amber slightly viscous liquid
- Analytical purity: no data
- Storage condition of test material: room temperature in the dark
Test animals / tissue source
- Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- TEST ANIMALS
- Source: David Percival Ltd, Moston, Sandbach, Chesire, UK
- Age at study initiation: 12 to 16 weeks
- Weight at study initiation: 2.0-3.5 kg
- Housing: individually housed in suspended metal cages.
- Diet: certified Rabbit Diet (PMI Nutrition International, Nottingham, UK), ad libitum
- Water: ad libitum
- Acclimation period: at least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 17- 23
- Humidity (%): 30-70
- Air changes (per hr): at least 15
- Photoperiod (hrs dark / hrs light): 12/12
Test system
- Vehicle:
- unchanged (no vehicle)
- Controls:
- other: the untreated eye served as control
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.1 mL - Duration of treatment / exposure:
- single application without washing
- Observation period (in vivo):
- 3 days
Reading time points: 1, 24, 48 and 72 h - Number of animals or in vitro replicates:
- 1 female and 2 males
- Details on study design:
- SCORING SYSTEM: Draize scoring system
TOOL USED TO ASSESS SCORE: light source from a standard ophthalmoscope
Results and discussion
In vivo
Resultsopen allclose all
- Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Remarks:
- out of all 3 animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- iris score
- Basis:
- mean
- Remarks:
- out of all 3 animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 2
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- conjunctivae score
- Basis:
- animal #1
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.33
- Max. score:
- 3
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- conjunctivae score
- Basis:
- animal #2
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 3
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- conjunctivae score
- Basis:
- animal #3
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.33
- Max. score:
- 3
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Remarks:
- out of all 3 animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Irritant / corrosive response data:
- No corneal or iris effects occurred during the study.
Moderate conjuctival irritation was observed in all treated eyes (3/3) one hour after treatment.
Minimal conjuctival irritation was noted in two treated eyes (2/3) at 24 h observation time.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- CLP: not classified
DSD: not classified
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.
