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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 260-618-3 | CAS number: 57206-89-0
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
EC50> 100 mg/L
Key value for chemical safety assessment
Additional information
Read Across Hypothesis
The read across approach covers two Monoazo Yellow Pigments. The pigments encompassed are:
CAS no. |
EC no. |
Substance Name (C.I. Name) |
Substance Name |
Substance Role |
57206-89-0 |
260-618-3 |
|
N-(4-Chlorophenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide |
target |
6486-23-3 |
229-355-1 |
PIGMENT YELLOW 3 |
2-[(4-chloro-2-nitrophenyl)azo]-N-(2-chlorophenyl)-3-oxobutyramide |
source |
The read across hypothesis is that both substances – based on a very similar chemical structure – have very similar physical-chemical properties, which also govern their toxicokinetic behavior, their toxicity, ecotoxicity and environmental behaviour. These properties
· very low solubility in water but also in organic solvents
· non-degradability
lead to inert behaviour and negligible bioavailability for both humans and environmental organisms. This hypothesis is supported by absence of relevant effects in any of the tests for any endpoint (see Data Matrix).
Three dimensional single crystal X-ray analysis (Herbst and Hunger, 2004) showed that the Monoazo Yellow Pigments have a very stable lattice, which is stabilized by intramolecular hydrogen bonds into an almost planar configuration. This, together with relatively high molecular masses suggests low bioavailability. This is supported by the very limited solubility in any kind of media.
Both substances decompose at temperatures below 300 °C. And both are only soluble to a limited extend in water andn-octanol. Water solubility is about 9.3 µg/L (target) and 7.5 μg/L (source). Solubility inn-octanol is low (target: 43.7 mg/L and source 6.0 mg/L). The corresponding n-octanol/water partitioning coefficients were calculated to be 3.67 for the target and 2.9 for the source substance. These values are well below the limit of concern of 4.5 considered to be critical for bioaccumulative properties.
Overall the available toxicological data from the source substance should easily and reliably be used to predict specific endpoints of the target substance.
List of endpoints covered
The read across approach is applied to the following endpoints:
- Skin irritation
- Eye irritation
- Acute toxicity, oral route
- Short-term toxicity testing on Daphnia
Purities/Impurities
Both substances are synthesized in the same manner by azo coupling in aqueous media. Therefore they share a similar impurity profile. Both substances are of very high purity with > 97%. No noteworthy impurities have been identified. Impurities are most likely derived from the raw materials used.
Read Across Justification
The pigments of this approach are structurally similar and contain a substituted phenyl moiety, an azo moiety, and an oxobutyramide moiety. Minor differences are due to the number of Cl- (2 or 1) and methyl-substituents (0 or 1) and its different ring position. Both are solids, which decompose at high temperatures. The solubility of both pigments in water and n-octanol is very limited, < 10 μg/L and < 44 mg/L, respectively, resulting in a low partition coefficient in n-octanol/water (log Pow < 3.7), which is far below the limit of concern considered to be critical for bioaccumulative properties. When suspended in water both pigments yield nearly neutral pH values, which are entirely different from extreme values causing skin or eye corrosive reactions.
Monoazo Yellow Pigments generally show very limited biodegradability, which is assumed to be due to their unavailability for microorganisms. Lacking bioavailability is probably also the reason for the absence of any relevant mammalian toxicity: Both pigments didn’t show relevant toxic effect after single oral exposure up to the limit dose, skin sensitizing effect, or mutagenic properties.
These data indicate that the presence, number, position and identity of substituents do not influence the physico-chemical, ecotoxicological and toxicological behaviour of the pigments in a significant way.
In conclusion, structural similarities with very similar physico-chemical properties, environmental fate, and mammalian toxicity enable the prediction of acute oral toxicity and skin/eye irritation/corrosion of the target substance based on known properties of the source substance. Fulfillment of data requirements by read across from source to target substance is justified.
Data Matrix
Substance Role |
Target |
Source |
Chemical name |
N-(4-chlorophenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide |
PY 3 |
CAS no |
57206-89-0 |
6486-23-3 |
Physicochemical Properties |
||
State of the substance at 20° C and 101,3 kPa |
Yellow solid |
Yellow solid |
Melting/freezing point |
236 °C; decomp. 253 °C |
255 °C; decomp. 256 °C |
Relative density |
1.4262 g/cm3at 27°C |
1.5640 g/mL at 23 °C |
Vapour pressure |
<0.001 Pa at 20°C |
<0.000001 Pa (EPIWin estimate in agreement with "column 2") |
Water solubility |
9.3 µg/L at 23°C |
7.5 μg/L at 24-25 °C |
pH value of an aqueous suspension |
6.8 |
7.5 |
Partition coefficient n-octanol/water |
3.67 |
2.9 |
Flammability |
No ignition (BZ 1) |
non-flammable (BZ 2) |
Explosive properties |
not explosive |
not explosive |
Self-ignition temperature |
No self-ignition (neat substance), 260 °C (1:1 mixt. with kieselguhr) |
no self-ignition (neat substance), 260 °C (1:1 mixt. with kieselguhr) |
Oxidizing properties (Ox reduction potential) |
not oxidizing (Method A.17) |
not oxidising (UN-Test O.1) |
Stability in organic solvents and identity of relevant de-gradation products |
No data |
>72 h in DMSO and in 1,2-propylene glycol |
Solubility in org. solvents: octanol solubility |
43.7 mg/L at 23°C |
5.96 mg/L at 25-26 °C |
Mammalian Toxicity |
||
skin irritation |
RA: not irritating |
not irritating |
eye irritation |
RA: not irritating |
not irritating |
Skin sensitisation |
not sensitising |
not sensitising |
In vitrogene mutation study in bacteria |
not mutagenic (Prival modif.) |
not mutagenic (Prival modif.) |
Acute toxicity, oral route |
RA: LD50 rat: >2000 mg/kg bw |
LD50 rat (f) = 8285 mg/kg bw |
Ecotoxicology |
||
Short-term toxicity testing on Daphnia |
RA:EC50> 100 mg/L |
EC50> 100 mg/L |
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.