Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 830-582-9 | CAS number: 1951440-04-2
- 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 chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28th January 2019 - 6th February 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 4 February 2015
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- Recommended test system in the international OECD guideline for DPRA studies.
Test material
- Reference substance name:
- 1-(heptyloxy)-4-{2-[4-(heptyloxy)phenyl]-4-methylpentan-2-yl}benzene
- EC Number:
- 830-582-9
- Cas Number:
- 1951440-04-2
- Molecular formula:
- C32H50O2
- IUPAC Name:
- 1-(heptyloxy)-4-{2-[4-(heptyloxy)phenyl]-4-methylpentan-2-yl}benzene
- Test material form:
- liquid: viscous
Constituent 1
- Specific details on test material used for the study:
- Batch (Lot) Number: AS455433
Expiry date: 01 November 2020 (retest date) (taken from label)
Physical Description: Colourless to light yellow viscous liquid
Purity/Composition: 98.5%
Storage Conditions: At room temperature protected from light
Additional information
Test Facility test item number: 209996/A
Purity/Composition correction factor: No correction factor required
In chemico test system
- Details on the study design:
- Test system.
Synthetic peptides containing cysteine (SPCC) (Ac RFAACAA COOH) or synthetic peptides containing lysine (SPCL) (Ac RFAAKAA COOH). The molecular weight is 750.9 g/mol for SPCC and 775.9 g/mol for SPCL.
Experimental Design.
A stock solution of 0.667 mM SPCC (0.501 mg SPCC/mL) was prepared by dissolving 10.4 mg of SPCC in 20.76 mL phosphate buffer pH 7.5. The mixture was stirred for 5 minutes followed by 5 minutes sonication.
Three 0.5 mM SPCC reference control (RC) solutions (RCcysA, RCcysB and RCcysC) were prepared in amber vials by mixing 750 µL of the 0.667 mM SPCC stock solution with 250 µL ACN. In addition, a RCcysCIPA sample was included to evaluate the effect of the solvent that was used to dissolve the test item on the Percent Peptide Depletion. The RCcysCIPA sample was prepared by mixing 750 µL of the 0.667 mM SPCC stock solution with 200 µL ACN and 50 µL IPA.
Sample Incubations:
After preparation, the samples (reference controls, calibration solutions, co-elution control, positive controls and substance samples) were placed in the autosampler in the dark and incubated at 25±2.5°C. The incubation time between placement of the samples in the autosampler and analysis of the first RCcysB- or RClysB-sample was 23.6 hours. The time between the first RCcysB- or RClysB-injection and the last injection of a cysteine or lysine sequence, respectively, did not exceed 30 hours.
Prior to HPLC analysis the samples were visually inspected for precipitation. The samples that showed precipitation were centrifuged (at 400 g) for 5 minutes at room temperature and supernatant was transferred to a new vial.
HPLC Analysis.
SPCC and SPCL peak areas in the samples were measured by HPLC. Sample analysis was performed using the following systems:
System 1 (used for Cysteine Reactivity Assay):
Alliance separations module 2695 (Waters, Milford, MA, USA)
Dual λ absorbance detector 2487 (Waters)
System 2 (used for Lysine Reactivity Assay):
Alliance separations module 2695 (Waters, Milford, MA, USA)
Dual λ absorbance detector 2487 (Waters)
Results and discussion
- Positive control results:
- SPCL mean deplition for Cinnamic Aldehyde is 57.0% ± 0.7%. SPCC mean deplition for Cinnamic Aldehyde is 70.7% ± 0.3%.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: SPCC mean depletion (%)
- Value:
- 1.8
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- Precipitation observed following the incubation
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: SPCL mean deplition (%)
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- Precipitation observed following the incubation
Any other information on results incl. tables
SPCC Peak Area, Concentration, Depletion and Area Ratio (A220/A258) of the Substance Samples.
Sample code |
Peak area at 220 nm (µAU) |
Concentration (mM) |
SPCC Depletion |
Peak area at 258 nm (µAU) |
Area ratio (A220/A258) |
209996/A-cys-1 |
1866636 |
0.509 |
1.6% |
49473 |
37.73 |
209996/A-cys-2 |
1870198 |
0.510 |
1.4% |
49090 |
38.10 |
209996/A-cys-3 |
1852693 |
0.505 |
2.3% |
49417 |
37.49 |
|
Mean |
1.8% |
NA |
37.77 |
|
|
SD |
0.5% |
NA |
0.31 |
SPCL Peak Area, Concentration, Depletion and Area Ratio (A220/A258) of the Substance Samples.
Sample code |
Peak area at 220 nm (µAU) |
Concentration (mM) |
SPCL Depletion |
Peak area at 258 nm (µAU) |
Area ratio (A220/A258) |
209996/A-lys-1 |
1587711 |
0.483 |
0.0% |
50991 |
31.14 |
209996/A-lys-2 |
1605124 |
0.488 |
0.0% |
51014 |
31.46 |
209996/A-lys-3 |
1592852 |
0.484 |
0.0% |
50692 |
31.42 |
|
Mean |
0.0% |
NA |
31.34 |
|
|
SD |
0.0% |
NA |
0.18 |
SD = Standard Deviation, NA = Not Applicable.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Remarks:
- Precipitation of the substance was observed after the incubation period for both SPCC and SPCL, is not known how much of the substance remained in the solution to react with the peptides. Consequently, this negative result is uncertain.
- Conclusions:
- In the in chemico skin sensitisation assay the substance was negative and classified in the “no or minimal reactivity class”. However, since precipitation was observed before and after the incubation period for both SPCC and SPCL, this negative result is uncertain and should be interpreted with due care.
- Executive summary:
The in chemico skin sensitisation study conducted in accordance with OECD TG 442C, 'In Chemico Skin Sensitization: Direct Peptide Reactivity Assay'. The substance was incubated with synthetic peptides containing either cysteine (SPCC) or lysine (SPCL) for 23.6 h at 25 °C. The SPCC and SPCL Percent Depletion Values were calculated. It was shown that after the incubation of substance with peptides there was a precipitate present for both SPCC and SPCL. The substance is classified in the “no or minimal reactivity class”. However, as the precipitation was observed it was not possible to conclude whether the sufficient levels of the substance had reacted with the peptides, therefore this negative result is uncertain and should be interpreted with due care.
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.