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EC number: 228-937-2 | CAS number: 6375-46-8
- 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
Skin irritation:
The dermal irritation potential of N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the skin of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to skin and can be classified under the category “Category 2 (irritant)” as per CLP regulation
Eye irritation:
The ocular irritation potential of N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the eye of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to eye and can be classified under the category “Category 2 (irritant)” as per CLP regulation
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: N-[3-(diethylamino)phenyl]acetamide
- Molecular formula: C12H18N2O
- Molecular weight: 206.287 g/mol
- Smiles notation: O=C(Nc1cccc(N(CC)CC)c1)C
- InChl: 1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
- Substance type: Organic
- Physical state:Solid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- No data available
- Observation period:
- No data available
- Number of animals:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- severe skin irritating reactions were observed.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Remarks:
- Migrated information
- Conclusions:
- he substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the skin of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to skin.
- Executive summary:
The dermal irritation potential of N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the skin of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to skin and can be classified under the category “Category 2 (irritant)” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: Out of Domain
(((((((((((((((((("a"
or "b" or "c" )
or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and "ah" )
)
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 Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic amines by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, non cyclic structure OR Strong binder, NH2 group OR Strong
binder, OH group OR Very strong binder, OH group OR Weak binder, NH2
group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition on alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Michael-type addition on alpha, beta-unsaturated carbonyl compounds >>
Four- and Five-Membered Lactones OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR AN2 >> Shiff base formation after aldehyde
release OR AN2 >> Shiff base formation after aldehyde release >>
Specific Acetate Esters OR AN2 >> Shiff base formation for aldehydes OR
AN2 >> Shiff base formation for aldehydes >> Geminal Polyhaloalkane
Derivatives OR Non-covalent interaction OR Non-covalent interaction >>
DNA intercalation OR Non-covalent interaction >> DNA intercalation >>
Coumarins OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide Side Chain OR Non-specific OR
Non-specific >> Incorporation into DNA/RNA, due to structural analogy
with nucleoside bases OR Non-specific >> Incorporation into DNA/RNA,
due to structural analogy with nucleoside bases >> Specific Imine
and Thione Derivatives OR Radical OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Coumarins OR Radical >> Radical mechanism via
ROS formation (indirect) >> Geminal Polyhaloalkane Derivatives OR
Radical >> Radical mechanism via ROS formation (indirect) >> Nitro
Azoarenes OR Radical >> Radical mechanism via ROS formation (indirect)
>> Nitroarenes with Other Active Groups OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS formation
(indirect) >> p-Substituted Mononitrobenzenes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Specific Imine and Thione
Derivatives OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN1 >> Nucleophilic attack after carbenium ion formation OR SN1 >>
Nucleophilic attack after carbenium ion formation >> Specific Acetate
Esters 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 >> Nitro
Azoarenes OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitroarenes with Other Active Groups OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
p-Substituted Mononitrobenzenes OR SN1 >> Nucleophilic substitution on
diazonium ions OR SN1 >> Nucleophilic substitution on diazonium ions >>
Specific Imine and Thione Derivatives OR SN2 OR SN2 >> Acylation OR SN2
>> Acylation >> Specific Acetate Esters OR SN2 >> Acylation involving a
leaving group OR SN2 >> Acylation involving a leaving group >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Acylation involving a leaving group
after metabolic activation OR SN2 >> Acylation involving a leaving group
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2
>> Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Alkylation, direct acting epoxides and related after cyclization OR SN2
>> Alkylation, direct acting epoxides and related after cyclization >>
Nitrogen Mustards OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 >>
Alkylation, ring opening SN2 reaction OR SN2 >> Alkylation, ring opening
SN2 reaction >> Four- and Five-Membered Lactones OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Coumarins OR SN2 >> DNA
alkylation OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >>
Internal SN2 reaction with aziridinium and/or cyclic sulfonium ion
formation (enzymatic) OR SN2 >> Internal SN2 reaction with aziridinium
and/or cyclic sulfonium ion formation (enzymatic) >> Vicinal
Dihaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate
Esters OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives 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.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens by
Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "n"
Similarity
boundary:Target:
CCN(CC)c1cccc(NC(C)=O)c1
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Group All log Kow < -3.1 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Group C Molecular Weight > 350
g/mol by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Group CN Aqueous Solubility <
0.1 g/L by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Group CN Melting Point > 180 C
OR Group CN Molecular Weight > 290 g/mol by Skin irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Group CN Vapour Pressure < 0.001
Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Group C Vapour Pressure < 0.0001
Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CN Lipid
Solubility < 0.4 g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Acylation >> Ring opening
acylation >> Active cyclic agents by Protein binding alerts for skin
sensitization by OASIS v1.3
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Michael Addition >> Michael
addition on conjugated systems with electron withdrawing group >>
alpha,beta-Carbonyl compounds with polarized double bonds by Protein
binding by OASIS v1.3
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.3
Domain
logical expression index: "ah"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.27
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: N-[3-(diethylamino)phenyl]acetamide
- Molecular formula: C12H18N2O
- Molecular weight: 206.287 g/mol
- Smiles notation: O=C(Nc1cccc(N(CC)CC)c1)C
- InChl: 1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
- Substance type: Organic
- Physical state:Solid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- No data available
- Observation period (in vivo):
- No data available
- Duration of post- treatment incubation (in vitro):
- No data available
- Number of animals or in vitro replicates:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- severe ocular lesions were observed.
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- he substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the eye of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to eye.
- Executive summary:
The ocular irritation potential of N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to the eye of rabbits. Based on the estimated result N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) can be considered to be highly irritating to eye and can be classified under the category “Category 2 (irritant)” as per CLP regulation
Reference
Estimation
method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and "q" )
and ("r"
and (
not "s")
)
)
and "t" )
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and "y" )
and "z" )
and "aa" )
and ("ab"
and (
not "ac")
)
)
and "ad" )
and ("ae"
and "af" )
)
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 Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, non cyclic structure OR
Strong binder, NH2 group OR Strong binder, OH group OR Very strong
binder, OH group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr OR Group 12 - Trans.Metals Zn,Cd,Hg OR Group 16 -
Sulfur S OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17
- Halogens F OR Group 17 - Halogens F,Cl,Br,I,At OR Group 17 - Halogens
I by Chemical elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Allyl esters (Hepatotoxicity)
Rank A OR Anilines (Hemolytic anemia with methemoglobinemia) Rank A OR
Anilines (Hepatotoxicity) Rank C OR Dantrolene (Hepatotoxicity) Alert OR
Perhexiline (Hepatotoxicity) Alert OR Tamoxifen (Hepatotoxicity) Alert
by Repeated dose (HESS)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Ac-SN2 OR Ac-SN2 >> Acylation
involving an activated (glucuronidated) carboxamide group OR Ac-SN2 >>
Acylation involving an activated (glucuronidated) carboxamide group >>
Carboxylic Acid Amines OR Ac-SN2 >> Direct acylation involving a leaving
group OR Ac-SN2 >> Direct acylation involving a leaving group >>
Carboxylic Acid Amines OR Ac-SN2 >> Ring opening acylation reaction OR
Ac-SN2 >> Ring opening acylation reaction >> Carboxylic acid Anhydrides
OR AN2 OR AN2 >> Michael addition to activated double bonds OR AN2 >>
Michael addition to activated double bonds >> alpha, beta - Unsaturated
Carbonyls and Related Compounds OR AN2 >> Michael addition to activated
double bonds in heterocyclic ring systems OR AN2 >> Michael addition to
activated double bonds in heterocyclic ring systems >> Pyrazolone and
Pyrazolidine Derivatives OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters >> alpha, beta - Unsaturated
Carboxylic Acids and Esters OR AN2 >> Michael type addition to activated
double bond of pyrimidine bases OR AN2 >> Michael type addition to
activated double bond of pyrimidine bases >> Pyrimidines and Purines OR
AN2 >> Michael-type addition to quinoid structures OR AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amines OR
AN2 >> Shiff base formation with carbonyl compounds OR AN2 >> Shiff base
formation with carbonyl compounds >> Pyrazolone and Pyrazolidine
Derivatives OR AN2 >> Shiff base formation with carbonyl group of
pyrimidine or purine bases OR AN2 >> Shiff base formation with carbonyl
group of pyrimidine or purine bases >> Pyrimidines and Purines by
Protein binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by Keratinocyte gene expression
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as High gene expression OR High
gene expression >> N-Acylamides OR Very high gene expression OR Very
high gene expression >> Epoxyethers by Keratinocyte gene expression
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alpha aryloxy substituted acetic
acid (9c) OR Bicyclic compounds with aryl fused O-containing
heterocycle-coumarin-related (14a ) OR Known precedent reproductive and
developmental toxic potential OR NO2-alkyl/NO2-benzene derivatives (8b)
OR Steroid derivatives OR Toluene and small alkyl toluene derivatives
(8a) by DART scheme v.1.0
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Acylation >> Direct Acylation
Involving a Leaving group >> Anhydrides OR Acylation >> Direct Acylation
Involving a Leaving group >> Azlactone OR No alert found OR SN2 OR SN2
>> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Alkyl diazo by Protein binding by OECD
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Kb, pH 8)(Hydrowin) ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Unsaturated acid anhydrides OR Low reactive OR Low reactive >>
Saturated acid anhydrides by DPRA Cysteine peptide depletion
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition on alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Michael-type addition on alpha, beta-unsaturated carbonyl compounds >>
Four- and Five-Membered Lactones OR SN2 OR SN2 >> Alkylation, ring
opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >>
Four- and Five-Membered Lactones by DNA binding by OASIS v.1.3
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 2) ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Esters (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "ad"
Similarity
boundary:Target:
CCN(CC)c1cccc(NC(C)=O)c1
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ae"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.678
Domain
logical expression index: "af"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.6
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) and its structurally similar read across substancesTrimellitic anhydride (CAS no: 552-30-7)andMaleic anhydride (CAS no: 108-31-6) .The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) .The chemical N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to skin of rabbits.
The OECD SIDS (2004) carried out skin irritation study ofstructurally similar read across substanceMaleic anhydride (CAS no: 108-31-6) on six New Zealand White rabbits toassess the irritationefficacy which supports the above result.In this study, 500mg (0.5g) was applied to two intact skin locations on the backs of six rabbits for four hours and skin reactions were observed for 7 days.Severe skin irritation was present in both treated areas of most rabbits for the entire 7-day observation period. Eschar formation with epidermal regenerationwas present in all of the sections. At 24 hours, the Draize scores for erythema and edema for site 1 (site 2) were 4.0 (3.7) and 4.0 (3.7), respectively. At 48 hours, the scores for erythema and edema were 4.0 (4.0) and 3.8 (3.5), respectively. At 72 hours, the erythema and edema scores were 4.0 (4.0) and 3.7 (3.0), respectively. At 7 days, the erythema and edema scores were 4.0 (4.0) and 3.7 (3.0), respectively.Sever signs of irritation were observed during 7 days observation period. Hence theMaleic anhydride (CAS no: 108-31-6) was considered to be highly irritating to theNew Zealand Whiterabbit’s skin.
The above results were further supported by Primary Skin irritation study conducted by OECD (2005) onstructurally similar read across substanceTrimellitic anhydride (CAS no: 552-30-7) was conducted on six New Zealand White rabbits in order to examine the degree of skin irritation caused by the chemical according to OECD Guideline 404 (Acute Dermal Irritancy/Corrosivity Study).Eachrabbit received 500mg of undilutedTrimellitic anhydride on shaved, pre-moistened (with water) backs for 4 hours under occlusive condition.The application site was covered with an adhesive dressing. After 4 hours the dressings were removed, the application site was rinsed with a light mineral oil and rubbed gently with a paper towel to remove residual test article. The skinof the animal was scored for irritation at 30-60 minutes, 24, 48, and 72 hours and 7 and 14 days following removal of the wrappings according to the Draize method.The dermal irritation score ranged from 4.3/8.0 at 30-60 minutes following unwrapping to 0.0/8.0 at 14 days. The primary dermal irritation score (PDIS) for trimellitic anhydride was observed o be 1.7. The primary dermal irritation score (PDIS) for trimellitic anhydride was observed o be 1.7.Thus chemicalTrimellitic anhydride (CAS no: 552-30-7) was considered to be moderately irritating to the skin ofNew Zealand Whiterabbits.
Based on the available data for thetarget chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) and its structurally similar read across substancesTrimellitic anhydride (CAS no: 552-30-7)andMaleic anhydride (CAS no: 108-31-6),it can be concluded thatchemical N-[3-(diethylamino)phenyl]acetamide is able to cause skin irritation and considered as severely irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category“Category 2 (irritant)”.
Eye irritation:
In different studies,the test chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) and its structurally similar read across substancesTrimellitic anhydride (CAS no: 552-30-7)andMaleic anhydride (CAS no: 108-31-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8.The chemical N-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) is estimated to be highly irritating to eye of rabbits.
The OECD SIDS (2004) carried out skin irritation study ofstructurally similar read across substanceMaleic anhydride (CAS no: 108-31-6) on six New Zealand albino rabbits to observe its irritation potential according to guideline 405 which supports the above result.In this study, the undiluted 100mg ofMaleic anhydride was installed intotheeye of each rabbits whilethe untreatedeye served as control.The treated eye of each rabbit was examined 1, 24, and 48 hours following test article administration.The mean conjunctival erythema scores at 24 and 48 hours were 2.0 and 3.0, respectively. The mean conjunctival chemosis scores at 24 and 48 hours were 4.0 and 4.0, respectively. The corneal opacity scores at 24 and 48 hours were 3.8 and 3.8, respectively. The iridial lesions scores at 24 and 48 hours were 2.0 and 2.0, respectively.The observed maximum eye irritation score was 106.7 (out of a maximum of 110).No deaths occurred during the study .However, due to signs of severe ocular irritation, the study was terminated following the 48-hour.Since Sever signs of eye irritation were observed, theMaleic anhydride (CAS no: 108-31-6) was considered to be highly irritating to theeye ofNew Zealand albino rabbits.
The above results were further supported by an ocular irritation study conducted by OECD (2005) onstructurally similar read across substanceTrimellitic anhydride (CAS no: 552-30-7) on one New Zealand albino rabbits in order to examine the degree of eye irritation caused by the chemical. It was anticipated that TMA might be a severe eye irritant. Therefore, out of concern for animal pain and discomfort, only one rabbit was used initially as a test subject. TMA was administered undiluted at a dose of 100mg (0.1mg) into one eye with the other eye serving as the untreated control. The treated eye was scored for irritation at 1, 2, 3, 4, 7, and 14 days following test article administration. Irritation was scored using the Draize method. A reaction was considered positive if at any observation period, the test article produced ulceration or opacity of the cornea (cornea score > than 0), inflammation or slight circumcorneal injection of blood vessels of the iris (iris score > 0), any obvious conjunctival swelling with partial eversion of the lids (chemosis score 2 or greater), or conjunctival erythema of diffuse crimson red (erythema score 2 or g greater) with individual vessels not easily discernable. Signs of ocular irritation were maximum (i.e. Draize score 110/110) at the 24 hour examination and the study was terminated immediately thereafter with no dosing of any additional animals. The maximum eye irritation score of 110/110 was obtained 1 day after administration of Trimellitic anhydride.Thus chemicalTrimellitic anhydride (CAS no: 552-30-7) was considered to be severely irritating to theeyeofNew Zealand albinorabbit.
Based on the available data for thetarget chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) and its structurally similar read across substancesTrimellitic anhydride (CAS no: 552-30-7)andMaleic anhydride (CAS no: 108-31-6),it can be concluded thatchemical N-[3-(diethylamino)phenyl]acetamide is able to cause ocular lesions and considered as severely irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category“Category 2 (irritant)”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8) and its structurally similar read across substancesTrimellitic anhydride (CAS no: 552-30-7)andMaleic anhydride (CAS no: 108-31-6)were observed in various studies. The results obtained from these studies indicates that the chemicalN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8)is likely to cause skin and eye irritation. HenceN-[3-(diethylamino)phenyl]acetamide (CAS No: 6375-46-8)can be classified under the category“Category 2 (irritant)”for skin and eye as per CLP.
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