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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

Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation: in vivo
- Type of information:
- other: data sharing dispute
- Adequacy of study:
- key study
- Study period:
- 23 Jan - 30 Jan 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP-guideline study with acceptable restrictions (no data on analytical purity; observation period only 7 days)
- 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:
- skin irritation / corrosion, 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
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- See : Final report SC2 Ontology project, ECHA - Final report 12/11/2013 -Istituto Superiore di Sanità (ISS), Viale Regina Elena 299,Rome 00161, Italy
https://www.qsartoolbox.org/documents/21638082/21690894/Ontology_SC2_FinalReport.pdf/945697e2-c3bb-4891-b2e4-6c7e12222b25 - Specific details on test material used for the study:
- SMILES STRING C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CC)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COC(CCCCCCC\C=C/CCCCCCCC)=O
- Irritation / corrosion 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 corrosive to skin
- Conclusions:
- The Substance Fatty acids C16-18 and C18 unsaturated, triesters with TMP CAS 68002-78-8 was predicted to be not irritating to skin of Humans
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- skin irritation / corrosion, 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
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- See: Final report SC2 Ontology project, ECHA - Final report 12/11/2013 -Istituto Superiore di Sanità (ISS), Viale Regina Elena 299,Rome 00161, Italy
https://www.qsartoolbox.org/documents/21638082/21690894/Ontology_SC2_FinalReport.pdf/945697e2-c3bb-4891-b2e4-6c7e12222b25 - Specific details on test material used for the study:
- SMILE: C(\CCCCCCCC)=C/CCCCCCCC(OCC(CC)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)=O
- Irritation / corrosion 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 corrosive to skin
- Conclusions:
- The Substance 9-Octadecenoic acid (Z)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol CAS 70024-57-6 was predicted to be not irritating to skin of Humans
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- skin irritation / corrosion, 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
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on Qsars and grouping of chemicals R.6 year 2008
- Principles of method if other than guideline:
- See : Final report SC2 Ontology project, ECHA - Final report 12/11/2013 -Istituto Superiore di Sanità (ISS), Viale Regina Elena 299,Rome 00161, Italy
https://www.qsartoolbox.org/documents/21638082/21690894/Ontology_SC2_FinalReport.pdf/945697e2-c3bb-4891-b2e4-6c7e12222b25 - Specific details on test material used for the study:
- SMILES descriptor used for prediction: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)CO
- Irritation / corrosion parameter:
- other: qualitative estimation
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not corrosive to skin
- Conclusions:
- The Substance Oleic acid CAS 2027-47-6 was predicted to be not irritating to skin of Humans
- Reason / purpose for cross-reference:
- other: weight of evidence
Reference
- Endpoint:
- skin irritation: in vivo
- Type of information:
- other: data sharing dispute
- Adequacy of study:
- key study
- Study period:
- 06 June - 23 June 1989
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions (only few details on the 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 404 (Acute Dermal Irritation / Corrosion)
- Deviations:
- yes
- Remarks:
- Lack of details on test substance
- 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:HM
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Fa. Thomae, Biberach, Germany
- Age at study initiation: 5-6 months
- Weight at study initiation: 2.4 kg (mean)
- Housing: individually in rabbit-battery
- Diet: Altromin 2023, ad libitum
- Water: tap 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:
- other: clipped
- 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
Reading time points: 1, 24, 48, 72 h - Number of animals:
- 3 males
- Details on study design:
- TEST SITE
- Area of exposure: 6 cm²
SCORING SYSTEM: Draize scoring system - Irritation parameter:
- erythema score
- Basis:
- animal #1
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.7
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 h
- Remarks on result:
- other: very slight erythema (grade 1) was seen at 24 and 72 h
- Irritation parameter:
- erythema score
- Basis:
- animal #2
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Remarks on result:
- other: very slight erythema (grade 1) was seen at 24h
- Irritation parameter:
- erythema score
- Basis:
- animal #3
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Remarks on result:
- other: very slight erythema (grade 1) was seen at 24h
- Irritation parameter:
- edema score
- Basis:
- mean
- Remarks:
- out of 3 animals
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Remarks on result:
- other: no edema observed
- Irritant / corrosive response data:
- All 3 animals displayed very slight erythema at reading time point 24 h; in one case (animal 1), erythema remained up to 48 h. The finding was fully reversible for all 3 animals with 48 to 72 h. No edema was seen.
- 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: Erythema score
Animal Number |
1 h |
1 day |
2 days |
3 days |
1 |
0 |
1 |
1 |
0 |
2 |
0 |
1 |
0 |
0 |
3 |
0 |
1 |
0 |
0 |
Table 2: Edema Score
Animal Number |
1 h |
1 day |
2 days |
3 days |
1 |
0 |
0 |
0 |
0 |
2 |
0 |
0 |
0 |
0 |
3 |
0 |
0 |
0 |
0 |
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 404 (Acute Dermal Irritation / Corrosion)
- Version / remarks:
- adopted in 1992
- Deviations:
- yes
- Remarks:
- no data on analytical purity; observation period only 7 days
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion)
- Version / remarks:
- adopted in 1992
- Deviations:
- yes
- Remarks:
- no data on analytical purity; observation period only 7 days
- GLP compliance:
- 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
- Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system 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
- Type of coverage:
- semiocclusive
- Preparation of test site:
- other: clipped
- Vehicle:
- unchanged (no vehicle)
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.5 mL - Duration of treatment / exposure:
- 4 h
- Observation period:
- 7 days
Reading time points: 1, 24, 48 and 72 h and 7 days - Number of animals:
- 3 males
- Details on study design:
- TEST SITE
- Area of exposure: dorsal/flank area
- Type of wrap if used: the treated skin was covered with a 2.5 cm x 2.5 cm cotton gauze, held in place with strip of surgical adhesive tape. In addition to prevent the animals interfering with the patches, the trunk of each rabbit was wrapped in an elasticated corset.
REMOVAL OF TEST SUBSTANCE
- Washing (if done): residual test material was removed by gentle swabbing with cotton wool soaked in 74% industrial methylated spirits.
- Time after start of exposure: 4 h
SCORING SYSTEM: Draize scoring system
Results and discussion
In vivo
Resultsopen allclose all
- Irritation parameter:
- erythema score
- Basis:
- animal #1
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 1.33
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- erythema score
- Basis:
- animal #2
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.33
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- erythema score
- Basis:
- animal #3
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 1.33
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #1
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0.33
- Max. score:
- 4
- Reversibility:
- fully reversible within: 48 h
- Irritation parameter:
- edema score
- Basis:
- animal #2
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: reversibility not applicable
- Irritation parameter:
- edema score
- Basis:
- animal #3
- Time point:
- other: mean over 24, 48 and 72 h
- Score:
- 1.33
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritant / corrosive response data:
- Very slight to well-defined erythema was noted in all animals (3/3) one hour after patch removal and at the 24 h observation. Very slight erythema noted in 2/3 animals skin at the 48 and 72 h observations.
Very slight to slight edema was noted in 2/3 animals on hour after patch removal and at 24 h observation. Very slight edema was observed in 1/3 animals at the 48 and 72 hour observation. - Other effects:
- Light desquamation was noted at the two treated skin sites at the 7-day observation.
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.
