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Diss Factsheets
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EC number: 822-536-1 | CAS number: 2180952-76-3
- 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
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Absorption rate - oral (%):
- 42
- Absorption rate - dermal (%):
- 5
- Absorption rate - inhalation (%):
- 22
Additional information
Due to the UVCB nature of the REACH substance, a set of representative structures of the main constituents were created and used to predict the potential ADME properties using GastroPlus.
The main constituents of this substance are an isoviolanthrone structure with several dodecane side chains attached to it and oligomers of dodecane. There is also residual lauryl chloride present as an impurity/unreacted starting material. The following structures were therefore generated for use in the prediction:
A - F: isoviolanthrone with 2 - 7 dodecane side chains
G - H: dodecane oligomers (2 and 3 dodecanes)
I: Lauryl chloride (present as an impurity)
For each substance the Fraction absorbed (and bioavailable) was determined for oral, dermal and inhalation routes. For constituents A - F the bioavailability via all routes decreased as the number of dodecane side chains increased. For all 6 structures the dermal bioavailability was predicted to be <0.1% (0.017 to 0.0006%); the oral bioavailability was highest for the structure with 2 side chains (approx 13%), but then rapidly dropped off as more chains were added (from 3.2 with 3 side chains, to 0.8 with 7 side chains); the inhalation bioavailability was predicted to be approximately double the oral availability (from 24% with 2 side chains to 2% with 7 side chains). However it should be noted that this substance is not volatile.
The dodecane oligomers were predicted to have a low dermal bioavailability (0.001 - 0.002%); oral bioavailability was approximately 90 -95% and inhalation bioavailability was approximately half the oral bioavailability (approx 45%).
Lauryl chloride was estimated to have high oral and dermal bioavailability (98 and 82% respectively) and somewhat lower inhalation bioavailability (59%).
The substance identity information demonstrated that the of the alkylated isoviolanthrene portion of the composition (approx 53%), typcially had 1 -7 dodecane groups, with the majority having 3 -5 dodecane groups. A smaller portion (3.5%) had greater than 5 alkyl groups. Based on this, it is predicted that the oral/dermal and inhalation absorption of this fraction would be approximately 1.5%, 0.0006% and 3% respectively.
For the alkyl protion of the composition (approx. 39%), the oral, dermal and inhalation absorption is predicted to be approximately 91%, 0.002% and 42.5% respectively.
Based on the different bioavailabilities of the constituents an average bioavailability for the REACH substance has been derived:
bioavailability (%) | ||||
% composition | Oral | Dermal | Inhalation | |
dye | 55.00% | 1.5 | 0.0006 | 3 |
alkyl | 39% | 91 | 0.002 | 42.5 |
Lauryl Ch | 6% | 98 | 82 | 59 |
100.00% | ||||
Proportional bioavailability (%) | ||||
Oral | Dermal | Inhalation | ||
dye | 0.83 | 0.00033 | 1.65 | |
alkyl | 35.49 | 0.00078 | 16.58 | |
Lauryl Ch | 5.88 | 4.92 | 3.54 | |
Predicted bioavailability (%) | ||||
Oral | Dermal | Inhalation | ||
Total | 42 | 5 | 22 |
However the majority of the absorbed fraction will be made up of the alkyl and lauryl chloride portion of the composition. The main alkylated isoviolanthrene constituent will be minimally absorbed
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