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EC number: 270-472-2 | CAS number: 68441-68-9
- 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
Key value for chemical safety assessment
Effects on fertility
Effect on fertility: via oral route
- Endpoint conclusion:
- no study available
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
No data on reproductive toxicity / effects on fertility for the target substance are needed because reliable information on a pre-natal developmental toxicity study for an adequate source substance are available. Moreover, data on repeated dose toxicity studies are available including sub-chronic studies for the analogue substances Fatty acids, C5-9, tetraesters with pentaerythritol (CAS 67762-53-2) and Pentaerythritol ester of pentanoic acids and isononanoic acid (CAS 146289-36-3).
In a 13-week oral repeated-dose toxicity study performed comparable to OECD Guideline 408 with Pentaerythritol ester of pentanoic acids and isononanoic acid in rats (CAS 146289-36-3) reproductiveorgans were examined as well (Emery, 1998). Groups of 10 male and female Wistar rats each were exposed to the substance by gavage at 100, 300 and 1000 mg/kg bw for 90 consecutive days. Overall, there were no adverse effects found after oral application of the test substance for 90 days. With special regard to the reproductive organs (ovaries, epididymides, prostate, testes and uterus), the examination of organ weights as well as gross necropsy and histo-pathology revealed no substance-relatedfindings. Based on the absence of effects up to the highest dose tested, the 90-day oral systemic NOAEL was found to exceed 1000 mg/kg bw/day.
A 90-day dermal toxicity study with Fatty acids, C5-9, tetraesters with pentaerythritol (CAS 67762-53-2) was performed comparable to OECD Guideline 411 (Exxon, 1988).Groups of 10 male and female Sprague-Dawley rats each were once daily (5 days/week) exposed to the substance (purity not specified) at concentrations of 800 and 2000 mg/kg bw for 90 days (65 applications in total). Application to the skin was done open without coverage. Reproductive endpoints examined were sperm morphology and weights of reproductive organs. Overall, there were no adverse effects found after dermal application of the test substance for 90 days. Examination of reproductive organs (ovaries, epididymides, prostate and seminal vesicles, testes, uterus and vagina) revealed no substance-related findings. Additionally, cauda epididymal sperm of the control and high dose groups, examined at the end of the treatment period, did not show changes in morphology. Based on the absence of effects concerning weight of reproductive organs and sperm morphology up to the highest dose tested, the 90-day dermal systemic NOAEL was found to exceed 2000 mg/kg bw/day for Fatty acids, C5-9, tetraesters with pentaerythritol in Sprague-Dawley rats.
A 90-day subchronic inhalation toxicity study was performed with Fatty acids, C5-9, tetraesters with pentaerythritol (CAS 67762-53-2) comparable to OECD guideline 413 in Sprague-Dawley rats (Exxon, 1992). 15 males and 15 females per group were whole body exposed to the test substance for 6 hours/day, 5 days/week at concentrations of 0.05, 0.15 and 0.5 mg/L. The respective controls inhaled clean air under the same conditions. Reproductive parameters examined included reproductive organs and testicular spermatid count as well as epididymal sperm count and morphology. No changes in reproductive organs or effects on sperm count and morphology could be detected in the high dose group compared to the control animals. The NOAEC for systemic effects was therefore found to exceed 0.5 mg/L.
CONCLUSION
Based on the results of available sub-chronic studies investigating parameters of reproductive toxicity for adequate source substances and on toxicokinetic considerations, no adverse effects on reproductive organs and tissues are expected for the target substance.
Effects on developmental toxicity
Description of key information
Oral: OECD 414, rat, NOAEL developmental ≥ 1000 mg/kg bw/day
Oral: OECD 422, rat, NOAEL systemic ≥ 1000 mg/kg bw/day
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Additional information
JUSTIFICATION OF THE READ-ACROSS ANALOGUE (RA-A) APPROACH
The target substance Tetraesters of 2,2-bis(hydroxymethyl)propane-1,3-diol and decanoic and octanoic acid (CAS No. 68441-68-9) is an ester of pentaerythritol and fatty acids of a chain length of C8 and C10. The analogue approach covers 10 source substances, all of them are polyol esters covering a variety of polyols (pentaerythritol, dipentaerythritol and trimethylolpropane) and fatty acid moieties (linear: C5-18; branched: C5, C8 and C9; unsaturated: C18:1, C18:2 and C18:3).
The available data allows for an accurate hazard and risk assessment of all source substances and the target substance. Therefore, the read-across analogue (RA-A) approach is applied for the assessment of human health hazards of the target substance. Potential human health effects of the target substance are predicted by using adequate and reliable data for source substances within the analogue approach in accordance with Annex XI, Item 1.5, of Regulation (EC) No 1907/2006. In particular, for each specific endpoint the source substance(s) structurally closest to the target substance is/are chosen for read-across, with due regard to the requirements of adequacy and reliability of the available data. Structural similarities and similarities in properties and/or activities of the source and target substance are the basis of read-across.
A detailed justification of the read-across is provided in IUCLID section 13.
Target and source substances covered by the RA-A approach:
ID |
CAS No. |
EC No. |
Chemical name |
Fatty acid chain length |
Type of alcohol |
Degree of esterification |
Molecular Formula |
MW [g/mol] |
Target |
68441-68-9 |
270-472-2 |
Decanoic acid, mixed esters with octanoic acid and pentaerythritol |
C8, C10 |
PE |
Tetra |
C37H68O8; C45H84O8 |
640.93 - 753.14 |
Source 1 |
11138-60-6 |
234-392-1 |
Fatty acids, C8-10 (even numbered), di- and triesters with propylidynetrimethanol |
C8, C10 |
TMP |
Tri |
C30H56O6; C36H68O6 |
512.78 - 596.94 |
Source 2 |
15834-04-5 |
239-937-7 |
2,2-bis[[(1-oxopentyl)oxy]methyl] propane-1,3-diyl divalerate |
C5 |
PE |
Tetra |
C25H44O8 |
472.62 |
Source 3 |
71010-76-9 |
275-118-0 |
Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid |
C5, C5iso, C6, C7, C8, C9, C10 |
PE |
Tetra |
C25H44O8; C33H60O8; C45H84O8 |
472.62 - 753.14 |
Source 4 |
146289-36-3 |
-- |
Pentaerythritol ester of pentanoic acids and isononanoic acid |
C5, C5iso, C9branched |
PE |
Tetra |
C25H44O8; C41H76O8 |
472.62 – 697.04 |
Source 5 |
68424-31-7 |
270-291-9 |
Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids |
C5, C7, C8, C10 |
PE |
Tetra |
C25H44O8; C45H84O8 |
472.62 – 753.14 |
Source 6 |
85536-35-2 |
287-517-7 |
Fatty acids, C5-9, mixed esters with dipentaerythritol and pentaerythritol |
C5-9 |
PE and DiPE |
Tetra and Hexa |
C25H44O8; C41H76O8; C40H70O13; C60H110O13 |
472.62 - 1039.51 |
Source 7 |
68604-44-4 |
271-694-2 |
Fatty acids, C16-18 and C18-unsatd., tetraesters with pentaerythritol |
C16, C17, C18, C18:1, C18:2, C18:3 |
PE |
Tetra |
C69H132O8; C77H148O8; C77H104O8 |
1089.78 - 1193.93 |
Source 8 |
189200-42-8 |
-- |
Fatty acids, C8-10 mixed esters with dipenaterythritol, isooctanoic acid, pentaerythritol and tripentaerythritol |
C8-10, C8iso |
PE and DiPE |
Tetra |
C37H68O8; C45H84O8; C41H76O8; C58H106O13; C70H130O13; C64H118O13 |
640.93 – 1179.77 |
Source 9 |
67762-53-2 |
267-022-2 |
Carboxylic acids, C5-9, tetraesters with pentaerythritol |
C5-9 |
PE |
Tetra |
C25H44O8; C41H76O8 |
472.62 - 697.04 |
Source 10 |
85586-24-9 |
287-827-2 |
Fatty acids, C8-10, tetraesters with pentaerythritol |
C8-10 |
PE |
Tetra |
C37H68O8; C45H84O8 |
640.93 - 753.14 |
DISCUSSION
No data for reproductive toxicity are available for the target substance. Therefore, reliable information from source the substance Fatty acids C8-10, mixed esters with dipentaerythritol, isooctanoic acid, pentaerythritol and tripentaerythritol (CAS 189200-42-8) is used for read-across.
The developmental toxicity of Fatty acids C8-10, mixed esters with dipentaerythritol, isooctanoic acid, pentaerythritol and tripentaerythritol (CAS 189200-42-8) was investigated according to OECD Guideline 414 (prenatal developmental toxicity study) and under GLP conditions (ExxonMobil, 1995c). 50 male Sprague-Dawley rats were mated with females to achieve groups of 25 pregnant Sprague-Dawley rats which then received daily oral gavage doses of the test substance at concentrations of 100, 500 and 1000 mg/kg bw/day during gestational days 6 to 15. Control animals received the vehicle polyethylene glycol (PEG 400). On day 21 of gestation the animals were euthanized and examined for maternal and fetal parameters. There were no adverse effects found for all parameters examined in maternal animals. Based on the number of implantations, number of total litter losses by resorption, mortality, clinical signs, body weight, gross pathology and organ weights of maternal animals the NOAEL for maternal toxicity was found to be 1000 mg/kg bw/day. Examination of fetus litter size and weights, offspring viability (number alive and number dead), sex ratio, grossly visible abnormalities, external, head, soft tissue and skeletal abnormalities showed only incidental malformations in two high dose females. The NOAEL for embryo-/fetotoxicity and teratogenicity in rats of the test substance was therefore found to be 1000 mg/kg bw/day.
CONCLUSION
The available data on developmental toxicity from an adequate source substance does not indicate any significant toxicological adverse effects on maternal and embryonal toxicity. Based on the available data and following the analogue approach, no hazard for reproduction (development) was identified for the target substance.
Justification for classification or non-classification
According to Article 13 of Regulation (EC) No. 1907/2006, information on intrinsic properties of substances may be provided by means other than tests e.g. by transferring information of structurally related substances to a target substance,
provided that conditions set out in Annex XI are met. Annex XI, sec. 1.5, 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".
Therefore, Article 13 and Annex XI of Regulation (EC) No. 1907/2006 define the read-across concepts:
(i) read-across based on grouping of substances (category approach) - RA-C approach
(ii) read-across from supporting substance (structural analogue or surrogate) - RA-A approach.
Here the RA-A approach is applied to fill data gaps by transferring data from structural analogues to the target substance. As a result, unnecessary animal testing is avoided. Based on the RA-A approach, the available data on toxicity to reproduction do not meet the classification criteria according to Regulation (EC) 1272/2008 and are therefore conclusive but not sufficient for classification of the target substance.
Additional information
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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