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EC number: 271-237-7 | CAS number: 68526-89-6 A complex combination of hydrocarbons produced by the distillation of products from the hydrogenation of isononanal from the hydroformylation of octene. It consists predominantly of C9-10 primary aliphatic alcohols, C10-20 dimer alcohols, C>18 acetals and esters and C>18 acid sodium salts and boils in the range of approximately 200°C to 400°C (392°F to 752°F).
- 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 sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- adopted February 2015
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Version / remarks:
- adopted February 2015
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 442E (h-CLAT)
- Version / remarks:
- adopted July 2016
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Regulation (EU) 2017/735, B.59 (DPRA)
- Version / remarks:
- adopted February 2017
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Regulation (EU) 2017/735, B.60 (LuSens)
- Version / remarks:
- adopted February 2017
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- other: Combined evaluation of direct peptide binding and activation of keratinocytes and dendritic cells
Test material
- Reference substance name:
- Octene, hydroformylation products, high-boiling
- EC Number:
- 271-237-7
- EC Name:
- Octene, hydroformylation products, high-boiling
- Cas Number:
- 68526-89-6
- Molecular formula:
- Unspecified
- IUPAC Name:
- Reaction products of octene, hydroformylation products of C8-alkenes, high boiling
- Details on test material:
- Purity: 99.324%
Batch: K3331 Sumpf
Appearance: liquid/ colorless, clear
Storage: ambient under nitrogen
Constituent 1
In vitro test system
- Details on the study design:
- All: no analysis of the test substance in the vehicle was performed, since it was applied shortly after preparation.
DPRA:
Synthetic peptides: Cysteine- (C-) containing peptide: Ac-RFAACAA-COOH (MW=751.9 g/mol), Lysine- (K-) containing peptide: Ac-RFAAKAA-COOH (MW=776.2 g/mol)
concentrations: 5% (50.3mg/ml) and undiluted (99.3% pure) - a gravimetric method was used, since no molecular weight could be assigned to the complex mixture of hydrocarbons (UVCB)
ratio for incubation:
5% dilution: 1:7 and 1:32 (cysteine and lysine containing peptides), based on absolute mass - tested as emulsion
undiluted: 1:10 and 1:50 (cysteine and lysine containing peptides) - tested as emulsion
vehicle controls (propanol) and all concentrations performed as triplicate
positive control: EGDMA (CAS 97-90-5)
co-elution control performed to detect possible interferences of the test substance with the peptides
LuSens (Keratinocyte activation)
cell line: Human transgenic keratinocyte cell line derived from HaCaT cells
cell densitiy: 0.83 x10e5 /ml
incubation time: 48h at 37°C
concentrations based on MTT assay:
first experiment
4.5, 5.4, 6.5, 7.8µg/mL
fourth experiment (experiments 2 + 3 did not meet acceptance criteria)
1.1, 1.3, 1.5, 1.8, 2.2, 2.6, 3.1, 3.8, 4.5, 5.4, 6.5µg/mL
next higher concentration caused a reduction in viability of more than 30%
dilutions were prepared by stirring
positive control: EGDMA, 18µg/ml (CAS 97-90-5)
negative control: DL-lactiv acid, 450µg/ml in 1% DMSO (CAS 50-21-5)
vehicle control 1% DMSO in culture medium
Replicates: triplicates
h-CLAT (activation of dendritic cells)
induction of CD86 and CD54
cell line: human monocytic leukemia cells THP-1
cell densitiy: 2x10e6/ml
incubation time: 24h at 37°C
cytotoxicity: determined by PI - DNA intercalation (goal: viability > 50%, due to a calcuation error for viability, too low concentrations were used in the first experiments)
concentrations:
first experiment: 40, 48, 58, 69, 83, 100, 120, 144µg/mL
second experiment: 83, 100, 120, 144, 173, 208, 249, 299µg/ml
third through fifith experiment: 120, 144, 173, 208, 249, 299, 359, 431µg/mL
Dilutions were prepared by stirring and ultra-sonication
positive control: DNCB, 4µg/ml (CAS 97-00-7)
negative control: DL-lactiv acid, 1000µg/ml (CAS 50-21-5)
Duplicates
vehicle control 0.2% DMSO in culture medium
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: 5%
- Parameter:
- other: Peptide depletion
- Remarks:
- (mean of both peptides)
- Value:
- 2.99
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- substance tested as emulsion, so the test may be underpredictive
- Run / experiment:
- other: undiluted
- Parameter:
- other: peptide depletion
- Remarks:
- mean of both peptides
- Value:
- 0.54
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- potentially underpredictive, since substance tested as emulsion
- Parameter:
- other: EC 1.5 (µg/ml)
- Remarks:
- (LuSens)
- Value:
- 1.5
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Run / experiment:
- other: 1
- Parameter:
- other: EC200 (µg/ml)
- Remarks:
- CD54 (h-CLAT)
- Value:
- 132
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- (no increase for CD 86)
- Run / experiment:
- other: 5
- Parameter:
- other: EC200 (µg/ml)
- Remarks:
- CD54 (h-CLAT)
- Value:
- 50
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- (no increase for CD86)
- Other effects / acceptance of results:
- DPRA
no Co-elution of the substance with the peptide occurred
LuSens
no precipitation occurred
h-CLAT
no precipitation occurred
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- DPRA: negative, but potentially underpredictive, since substance tested as emulsion. Result thus rendered inconclusive
LuSens: positive (EC1.5 = 1.5µg/mL9
h-CLAT: positive (EC 200 >=50 <=132µg/mL) based on CD54 induction. No induction of CD86
Overalls interpretation: positive
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