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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 279-349-8 | CAS number: 79916-07-7
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 3,7-bis(diethylamino)phenoxazin-5-ium acetate
- Molecular formula: C22H29N3O3
- Molecular weight: 383.489 g/mol
- Smiles notation: c1c2nc3ccc(cc3[o+]c2cc(N(CC)CC)c1)N(CC)CC.C(C)(=O)[O-]
- InChl: 1S/C20H26N3O.C2H4O2/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-2(3)4/h9-14H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Number of replicates:
- No data available
- Positive controls:
- not specified
- Negative controls:
- not specified
- Preliminary study:
- No data available
- Test performance:
- No data available
- Transformation products:
- not specified
- Details on hydrolysis and appearance of transformation product(s):
- No data available
- Key result
- DT50:
- 79.806 d
- Type:
- not specified
- Remarks on result:
- other: Other details not known
- Other kinetic parameters:
- No data available
- Details on results:
- No data available
- Results with reference substance:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated half-life of 3,7-bis(diethylamino)-5λ4-phenoxazin-5-ylium acetate was estimated to be 79.805 days, indicating that 3,7-bis(diethylamino)phenoxazin-5-ium acetate was non hydrolysable.
- Executive summary:
Hydrolysis of 3,7-bis(diethylamino)phenoxazin-5-ium acetate was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 3,7-bis(diethylamino) phenoxazin-5-ium acetate was estimated to be 79.805 days, indicating that 3,7-bis(diethylamino)phenoxazin-5-ium acetate was non hydrolysable.
Reference
Estimation
method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" )
and "c" )
and ("d"
and (
not "e")
)
)
and "f" )
and "g" )
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Peroxy Acids by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Ka, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Basic [0,10) AND No pKa value by
Ionization at pH = 7.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acidic [0,10) OR Acidic [30,40)
OR Acidic [90,100] OR No pKb value by Ionization at pH = 7.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "g"
Similarity
boundary:Target:
CCN(CC)c1ccc2c(c1)o{+}(.O{-}C(C)=O)c1cc(N(CC)CC)ccc1n2
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 146
Da
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 637
Da
Description of key information
Hydrolysis of 3,7-bis(diethylamino)phenoxazin-5-ium acetate was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 3,7-bis(diethylamino) phenoxazin-5-ium acetate was estimated to be 79.805 days, indicating that 3,7-bis(diethylamino)phenoxazin-5-ium acetate was non hydrolysable.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 79.805 d
Additional information
Hydrolysis of 3,7-bis(diethylamino)phenoxazin-5-ium acetate was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 3,7-bis(diethylamino) phenoxazin-5-ium acetate was estimated to be 79.805 days, indicating that 3,7-bis(diethylamino)phenoxazin-5-ium acetate was non hydrolysable.
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.