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EC number: 209-886-5 | CAS number: 596-49-6
- 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
Description of key information
4-(Diethylamino)-alpha,alpha-bis(4-(diethylamino)phenyl)benzenemethanol is not likely to be toxic upon repeated oral exposure by oral route.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material: p,p',p''-tris(diethylamino)trityl alcohol
- Molecular formula: C31H43N3O
- Molecular weight: 473.701 g/mol
- Smiles notation: OC(c1ccc(N(CC)CC)cc1)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1
- Substance type: Organic - Species:
- rat
- Strain:
- Wistar
- Details on species / strain selection:
- No data
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data
- Route of administration:
- oral: gavage
- Details on route of administration:
- not specified
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- not specified
- Frequency of treatment:
- not specified
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Positive control:
- not specified
- Observations and examinations performed and frequency:
- not specified
- Sacrifice and pathology:
- not specified
- Other examinations:
- not specified
- Statistics:
- not specified
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Details on results:
- not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 1 000 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: No significant changes were noted at the mentioned dose level
- Critical effects observed:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Conclusions:
- The predicted No Observed Adverse Effect Level (NOAEL) for p,p',p''-tris(diethylamino)trityl alcohol is 1000 mg/kg bw/day.
- Executive summary:
Repeated dose oral toxicity was predicted for p,p',p''-tris(diethylamino)trityl alcohol using SSS QSAR prediction database (2016). The study assumed the use of male and female Wistar rats in the combined repeated dose and reproduction / developmental screening study. The predicted No Observed Adverse Effect Level (NOAEL) for p,p',p''-tris(diethylamino)trityl alcohol is 1000 mg/kg bw/day.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d") and("e"
and(not
"f")) ) and("g"
and(not
"h")) ) and("i"
and(not
"j")) ) and("k"
and "l") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND
Aromatic Carbon [C] AND Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA)
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Amine AND Anion AND Aromatic
compound AND Cation AND Tertiary amine AND Tertiary mixed amine by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Alkene AND Ammonium salt AND
Aromatic amine AND Aryl by Organic Functional groups
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Alkene AND Ammonium salt AND
Aromatic amine AND Overlapping groups by Organic Functional groups
(nested)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR Radical OR Radical >> Radical mechanism
via ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroarenes with Other Active Groups OR Radical
>> ROS formation after GSH depletion (indirect) OR Radical >> ROS
formation after GSH depletion (indirect) >> Quinoneimines OR SN1 OR SN1
>> Nucleophilic attack after diazonium or carbenium ion formation OR SN1
>> Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Nitroarenes with Other
Active Groups OR SN2 OR SN2 >> SN2 attack on activated carbon Csp3 or
Csp2 OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >>
Nitroarenes with Other Active Groups by DNA binding by OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.4
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Schiff base formation OR Schiff
base formation >> Pyrazolones and Pyrazolidinones derivatives OR Schiff
base formation >> Pyrazolones and Pyrazolidinones derivatives >>
Pyrazolones and Pyrazolidinones OR SN2 OR SN2 >> Nucleophilic
substitution on heteroarene sulfenamides OR SN2 >> Nucleophilic
substitution on heteroarene sulfenamides >> Heteroarene sulfenamides by
Protein binding alerts for skin sensitization by OASIS v1.4
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as Alkaline Earth by Groups of
elements
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.34
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 7.1
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 000 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Data is from K2 prediction database
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity: Oral
Data from target chemical and read across chemical have been reviewed and summarized to determine the toxic nature of 4-(Diethylamino)-alpha,alpha-bis(4-(diethylamino)phenyl)benzenemethanol:
Repeated dose oral toxicity was predicted for p,p',p''-tris(diethylamino)trityl alcohol (CAS no 596 -49 -6) using SSS QSAR prediction database (2016). The study assumed the use of male and female Wistar rats in the combined repeated dose and reproduction / developmental screening study. The predicted No Observed Adverse Effect Level (NOAEL) for p,p',p''-tris(diethylamino)trityl alcohol is 1000 mg/kg bw/day.
In a study on read across performed by Borzelleca et al (1990), Combined Repeated dose carcinogenicity study was performed to evaluate the toxic nature of Brilliant Blue FCF (RA CAS no 3844 -45-9). FD & C Blue No. 1 was fed to CD-1 mice as a dietary admixture in lifetime toxicity/carcinogenicity studies at dose levels of 0.0%, 0.0%, 0.5%, 1.5% or 5.0% (0, 0, 714.28, 2142.85 or 7142.85 mg/Kg bw/day) in a lifetime toxicity/ carcinogenicity study. The maximum exposure time was 104 wk for both males and females. Dietary concentration of 5.0% (7354 mg/kg/day and 8966 mg/kg/day for male and female mice, respectively) FD & C Blue No. 1 to mouse for 104 weeks did not demonstrate consistent biologically significant, compound-related adverse effects on behavior, morbidity, mortality, haematology, general physical observations. Thus, the no-observed-adverse-effect level (NOAEL) established in this study is a dietary concentration of 5.0% (7354 mg/kg/day and 8966 mg/kg/day for male and female mice, respectively).
In a subchronic repeated dose toxicity study, SPF Carworth Farm E male and female rats were treated with Blue VRS at a concentration of 0.0, 0.3, 0.75, 1.5 and 3.0 % (0, 150, 375, 750 and 1500 mg/kg/day) orally. Impairment of growth, Reduction in food consumption, compound intake and bluish-green and slightly more acid urine were observed in 750 and 1500 mg/Kg/day (1.5 and 3.0 %) treated male and female as compared to control. In addition, Fatty changes in the liver of female rat and increase number of active acini in the thyroids of male rat of 750 and 1500 mg/Kg/day (1.5 and 3.0 %) treated animals. Blue material in the lumen of convoluted tubules associated with a coloured line observed at the cortcomedullary junction of kidney in male of 1500 mg/Kg/day (3.0 %) treated dose groups but this was not necessarily attributable to Blue VRS. Histological changes associated with acinal activity occur in response to stress of various kinds were noted. Therefore, the no observed adverse effect level (NOAEL) was considered to be 375 mg/kg/day (0.75 %) when SPF Carworth Farm E male and female rats were treated with Blue VRS orally for 90 days.
Based on the data summarized, 4-(Diethylamino)-alpha,alpha-bis(4-(diethylamino)phenyl)benzenemethanol is not likely to be toxic upon repeated oral exposure by oral route.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
Data is from prediction database; The predicted No Observed Adverse Effect Level (NOAEL) for p,p',p''-tris(diethylamino)trityl alcohol is 1000 mg/kg bw/day.
Justification for classification or non-classification
Based on the data summarized, 4-(Diethylamino)-alpha,alpha-bis(4-(diethylamino)phenyl)benzenemethanol is not likely to be toxic upon repeated oral exposure by oral route.
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.
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