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EC number: 203-139-7 | CAS number: 103-73-1
- 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
Toxicity to reproduction
Administrative data
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- [R]: 1,36E3 mg/kg bw/day; Estimation for LOAEL, LOAEL general effects, LOAEL reproductive effects, NOAEL, NOAEL Developmental toxicity, NOAEL Fertility, NOAEL general effects, NOAEL general systemic toxicity, NOAEL reproductive effects f
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 014
- Bibliographic source:
- OECD QSAR Toolbox 3.1 Prediction by SSS QSAR Team
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction using category approach; QSAR Toolbox 3.1; Read Across; 5 nearest analogues; Log Kow as descriptor
- GLP compliance:
- no
- Limit test:
- no
Test material
- Reference substance name:
- Phenetole
- EC Number:
- 203-139-7
- EC Name:
- Phenetole
- Cas Number:
- 103-73-1
- Molecular formula:
- C8H10O
- IUPAC Name:
- ethoxybenzene
- Test material form:
- other: liquid
- Details on test material:
- - Name of test material (as cited in study report):phenetole
- Molecular formula (if other than submission substance):C8H10O
- Molecular weight (if other than submission substance):
- Substance type:organic
- Physical state:liquid
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
Administration / exposure
- Route of administration:
- dermal
- Vehicle:
- unchanged (no vehicle)
- Details on exposure:
- DIET PREPARATION
Feeded orally - Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 8 weeks
Doses / concentrations
- Remarks:
- Doses / Concentrations:
100, 300, 1000 mg/kg bw/d
Basis:
- Control animals:
- yes, concurrent vehicle
Examinations
- Parental animals: Observations and examinations:
- CAGE SIDE OBSERVATIONS: Yes
DETAILED CLINICAL OBSERVATIONS: Yes
BODY WEIGHT: Yes
FOOD CONSUMPTION:
- Food consumption for each animal determined: Yes - Litter observations:
- number and sex of pups (Sex ratio), stillbirths, live births, postnatal mortality, presence of gross anomalies, clinical symptoms, body weights
- Postmortem examinations (parental animals):
- HISTOPATHOLOGY / ORGAN WEIGHTS
- Postmortem examinations (offspring):
- SACRIFICE and GROSS NECROPSY
- Reproductive indices:
- Male/female mating index, Male/female fertility index, Gestation index, Live birth index, Postimplantation loss
Results and discussion
Results: P0 (first parental generation)
General toxicity (P0)
- Clinical signs:
- no effects observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Histopathological findings: non-neoplastic:
- no effects observed
- Other effects:
- no effects observed
Reproductive function / performance (P0)
- Reproductive function: oestrous cycle:
- no effects observed
- Reproductive function: sperm measures:
- no effects observed
- Reproductive performance:
- no effects observed
Effect levels (P0)
- Dose descriptor:
- NOAEL
- Remarks:
- general systemic toxicity, Fertility, Developmental toxicity
- Effect level:
- 1 360 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: see 'Remark'
- Remarks on result:
- other: Generation: P,F1 (migrated information)
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
Results: F1 generation
General toxicity (F1)
- Clinical signs:
- no effects observed
- Mortality / viability:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Sexual maturation:
- no effects observed
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- no effects observed
- Histopathological findings:
- not examined
Results: F2 generation
Effect levels (F2)
- Remarks on result:
- not measured/tested
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
- Relation to other toxic effects:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "NOAEL Fertility","NOAEL Developmental toxicity","NOAEL
general systemic toxicity",NOAEL,"NOAEL general effects","NOAEL
reproductive effects",LOAEL,"LOAEL reproductive effects","LOAEL general
effects"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and (("g"
or "h" or "i" or "j" )
and ("k"
and (
not "l")
)
)
and (("m"
or "n" or "o" or "p" )
and ("q"
and (
not "r")
)
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether by
Organic functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether AND
Overlapping groups by Organic functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach
[-O-] by Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Aromatic
compound AND Ether by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.1
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acyation involving a leaving group OR Acylation >> Direct acyation
involving a leaving group >> Geminal Polyhaloalkanes OR Elimination (E2)
OR Elimination (E2) >> E2 elimination reaction with epoxide formation OR
Elimination (E2) >> E2 elimination reaction with epoxide formation >>
Haloalcohols OR Michael addition OR Michael addition >> alpha,
beta-unsaturated carabonyl compounds OR Michael addition >> alpha,
beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated
Aldehydes OR Michael addition >> alpha, beta-unsaturated carabonyl
compounds >> Four- and Five-Membered Lactones OR Michael addition >>
Quinone type compounds OR Michael addition >> Quinone type compounds >>
Quinoneimine Derivatives OR Michael addition >> Quinone type compounds
>> Quinones OR Nucleophilic addition OR Nucleophilic addition >>
Nucleophilic addition reaction with cycloisomerization OR Nucleophilic
addition >> Nucleophilic addition reaction with cycloisomerization >>
Hydrazine Derivatives OR Radical OR Radical >> Free radical formation OR
Radical >> Free radical formation >> Arenediazonium Salts OR Radical >>
Generation of reactive oxygen species OR Radical >> Generation of
reactive oxygen species >> Coumarins OR Radical >> Generation of
reactive oxygen species >> Thiols OR Radical >> Radical decomposition OR
Radical >> Radical decomposition >> Alkylnitrites OR Radical >> Radical
mechanism by ROS formation OR Radical >> Radical mechanism by ROS
formation >> Diazenes OR Radical >> Radical mechanism by ROS formation
>> Geminal Polyhaloalkanes OR Radical >> Radical mechanism by ROS
formation >> Hydrazine Derivatives OR Radical >> Radical mechanism by
ROS formation >> Nitro Compounds OR Radical >> Radical mechanism by ROS
formation >> Nitroso compounds OR Radical >> Radical mechanism by ROS
formation >> Organic Peroxy Compounds OR Radical >> Radical mechanism by
ROS formation >> Quinones OR Radical >> Radical mechanism by ROS
formation >> Specific Imine and Thione Derivatives OR Radical >> ROS
formation after GSH depletion OR Radical >> ROS formation after GSH
depletion >> Aromatic and Heterocyclic Primary Amines OR Radical >> ROS
formation after GSH depletion >> Haloalcohols OR Radical >> ROS
formation after GSH depletion >> Quinoneimine Derivatives OR Schiff base
fomers OR Schiff base fomers >> Direct acting Schiff base formers OR
Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites
OR Schiff base fomers >> Direct acting Schiff base formers >> Alpha,
Beta-Unsaturated Aldehydes OR Schiff base fomers >> Direct acting Schiff
base formers >> Geminal Polyhaloalkanes OR Schiff base fomers >> Direct
acting Schiff base formers >> Specific Acetate Esters OR Schiff base
fomers >> Multi-step Shiff base formation OR Schiff base fomers >>
Multi-step Shiff base formation >> Haloalkanes Containing
Electron-Withdrawing Groups OR SN1 OR SN1 >> Carbenium ion formation OR
SN1 >> Carbenium ion formation >> Alpha-Haloethers OR SN1 >> Carbenium
ion formation >> Nitroso compounds OR SN1 >> Carbenium ion formation >>
Polycyclic Aromatic Hydrocarbons OR SN1 >> Carbenium ion formation >>
Specific Acetate Esters OR SN1 >> Glutathione-induced nitrenium ion
formation OR SN1 >> Glutathione-induced nitrenium ion formation >>
Nitroso compounds OR SN1 >> Nitrenium and/or Carbenium ion formation OR
SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives OR
SN1 >> Nitrenium ion and/or Acyl ion formation OR SN1 >> Nitrenium ion
and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides OR SN1 >>
Nitrenium ion formation OR SN1 >> Nitrenium ion formation >>
Aminoacridine Derivatives OR SN1 >> Nitrenium ion formation >> Aromatic
and Heterocyclic Primary Amines OR SN1 >> Nitrenium ion formation >>
N-hydroxylamines OR SN1 >> Nitrenium ion formation >> Nitro Compounds OR
SN1 >> Nitrenium ion formation >> Sulfonyl Azides OR SN1 >> Nitrosation
OR SN1 >> Nitrosation >> Alkylnitrites OR SN1 >> Non-enzymatic nitroso
radical and/or nirtosonium cation formation OR SN1 >> Non-enzymatic
nitroso radical and/or nirtosonium cation formation >> Nitroso compounds
OR SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation
formation >> Urea Derivatives OR SN2 OR SN2 >> Acylating agents OR SN2
>> Acylating agents >> Specific Acetate Esters OR SN2 >> Carbenium Ion
Formation OR SN2 >> Carbenium Ion Formation >> Acyclic Triazenes OR SN2
>> Carbenium Ion Formation >> Arenediazonium Salts OR SN2 >> Carbenium
Ion Formation >> Diazoalkanes OR SN2 >> Diazonium ion formation OR SN2
>> Diazonium ion formation >> Specific Imine and Thione Derivatives OR
SN2 >> Direct acting aziridines OR SN2 >> Direct acting aziridines >>
Aminoacridine Derivatives OR SN2 >> Direct Acting Epoxides and Related
OR SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines OR
SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards OR SN2 >>
Direct acylation involving a leaving group OR SN2 >> Direct acylation
involving a leaving group >> Acyl Halides OR SN2 >> Epoxidation of
Aliphatic Alkenes OR SN2 >> Epoxidation of Aliphatic Alkenes >>
Polarized Haloalkene Derivatives OR SN2 >> Internal SN2 reaction with
aziridinium and/or cyclic sulfonic ion formation OR SN2 >> Internal SN2
reaction with aziridinium and/or cyclic sulfonic ion formation >>
Vicinal Dihaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon
atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal
Polyhaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom
>> Haloalkanes Containing Electron-Withdrawing Groups OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing
Heteroatom OR SN2 >> P450-mediated epoxidation OR SN2 >> P450-mediated
epoxidation >> Coumarins OR SN2 >> P450-mediated epoxidation >>
Polarized Haloalkene Derivatives OR SN2 >> P450-mediated epoxidation >>
Polycyclic Aromatic Hydrocarbons OR SN2 >> Ring opening SN2 reaction OR
SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones OR
SN2 >> SN2 at Nitrogen Atom OR SN2 >> SN2 at Nitrogen Atom >>
N-acetoxyamines OR SN2 >> SN2 at sp3 and activated sp2 carbon atom OR
SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene
Derivatives OR SN2 >> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon
atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR
SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers OR SN2 >> SN2 at
sp3-carbon atom >> Specific Acetate Esters OR SN2 >> SN2 at sp3-carbon
atom >> Sulfonates and Sulfates OR SN2 >> SN2 at sulfur atom OR SN2 >>
SN2 at sulfur atom >> Sulfonyl Halides by DNA binding by OASIS v.1.1
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether by
Organic functional groups
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether AND
Overlapping groups by Organic functional groups (nested)
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach
[-O-] by Organic functional groups (US EPA)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Aromatic
compound AND Ether by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Moderate binder, OH grooup 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 Weak binder, NH2 group OR Weak
binder, OH group OR Very strong binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether by
Organic functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Aryl AND Ether AND
Overlapping groups by Organic functional groups (nested)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach
[-O-] by Organic functional groups (US EPA)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Aromatic
compound AND Ether by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.1
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Acyl
transfer via nucleophilic addition reaction OR Acylation >> Acyl
transfer via nucleophilic addition reaction >> Isocyanates and
isothiocyanates OR Acylation >> Direct acylation involving a leaving
group OR Acylation >> Direct acylation involving a leaving group >> Acid
anhydrides OR Acylation >> Direct acylation involving a leaving group >>
Acyl halide of carboxylic acids OR Acylation >> Direct acylation
involving a leaving group >> Azalactones OR Acylation >> Direct
acylation involving a leaving group >> Carbamates OR Acylation >> Direct
acylation involving a leaving group >> N-acylamides OR Acylation >>
Direct acylation involving a leaving group >> N-acylated heteroaromatic
amines OR Acylation >> Direct acylation involving a leaving group >>
N-acylsulphonamides OR Acylation >> Direct acylation involving a leaving
group >> Omega-haloalkyl carboxylic acid esters OR Acylation >> Direct
acylation involving a leaving group >> Sulphonyl azides OR Acylation >>
Direct acylation involving a leaving group >> Sulphonyl halides OR
Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides
OR Acylation >> Ester aminolysis >> Dithiocarbamates OR Acylation >>
Ester aminolysis >> Dithioesters OR Acylation >> Ester aminolysis or
thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated
alkyl or aryl esters OR Acylation >> Ester aminolysis or thiolysis >>
Diarylesters OR Acylation >> Ring opening acylation OR Acylation >> Ring
opening acylation >> Active cyclic agents OR Ionic OR Ionic >>
Electrostatic interaction of tetraalkylammonium ions with protein
carboxylates OR Ionic >> Electrostatic interaction of tetraalkylammonium
ions with protein carboxylates >> Tetraalkylammonium ions OR Michael
addition OR Michael addition >> a,b-unsaturated carbonyl compounds OR
Michael addition >> a,b-unsaturated carbonyl compounds >>
a,b-unsatuarted aldehydes OR Michael addition >> Michael addition on
conjugated systems with electron withdrawing group OR Michael addition
>> Michael addition on conjugated systems with electron withdrawing
group >> alpha,beta-carbonyl compounds with polarized double bonds OR
Michael addition >> Michael addition on conjugated systems with electron
withdrawing group >> Cyanoalkenes OR Michael addition >> Michael
addition on conjugated systems with electron withdrawing group >>
Nitroalkenes OR Michael addition >> Michael addition on conjugated
systems with electron withdrawing group >> N-sulfonylazomethyne
compounds OR Michael addition >> Michael addition on conjugated systems
with electron withdrawing group >> Vinyl sulfonyl compounds OR Michael
addition >> Michael type addition on vinyl pirydines and activated
ethenylarenes OR Michael addition >> Michael type addition on vinyl
pirydines and activated ethenylarenes >> Activated electrophilic
ethenylarenes OR Michael addition >> Michael type addition on vinyl
pirydines and activated ethenylarenes >> Vinyl pyridines OR Michael
addition >> Michael-type addition on azoxy compounds OR Michael addition
>> Michael-type addition on azoxy compounds >> Azoxy compounds OR
Michael addition >> Quinone type compounds OR Michael addition >>
Quinone type compounds >> Naphtoquinone and naphtoquinone imines OR
Michael addition >> Quinone type compounds >> Quinone (di)imines OR
Michael addition >> Quinone type compounds >> Quinone methides OR
Michael addition >> Quinone type compounds >> Quinones OR Nucleophilic
addition OR Nucleophilic addition >> Addition to Carbon-hetero
double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero
double/triple bond >> Ketones OR Nucleophilic addition >> Addition to
Carbon-hetero double/triple bond >> Thiocyanates OR Nucleophilic
addition >> Nucleophilic addition at polarized N-functional double bond
OR Nucleophilic addition >> Nucleophilic addition at polarized
N-functional double bond >> C-Nitroso compounds OR Nucleophilic addition
>> Nucleophilic addition reaction across carbodiimide bond OR
Nucleophilic addition >> Nucleophilic addition reaction across
carbodiimide bond >> Carbodiimides OR Radical OR Radical >> Free radical
formation OR Radical >> Free radical formation >> Organic peroxy
compounds OR Schiff base formation OR Schiff base formation >>
Nucleophilic cycloaddition to diketones OR Schiff base formation >>
Nucleophilic cycloaddition to diketones >> Diketones OR Schiff base
formation >> Pyrazolones and pyrazolidinones derivatives OR Schiff base
formation >> Pyrazolones and pyrazolidinones derivatives >> Pyrazolones
and pyrazolidinones OR Schiff base formation >> Schiff base formation
with carbonyl compounds OR Schiff base formation >> Schiff base
formation with carbonyl compounds >> Aldehydes OR SN1 OR SN1 >>
Carbenium ion formation OR SN1 >> Carbenium ion formation >> Azoxy
compounds-forming carbenium ion OR SN1 >> Nucleophilic substitution
(SN1) on alkyl (aryl) mercury cations OR SN1 >> Nucleophilic
substitution (SN1) on alkyl (aryl) mercury cations >> Mercury compounds
OR SN2 OR SN2 >> Interchange reaction with sulphur containing compounds
OR SN2 >> Interchange reaction with sulphur containing compounds >>
Thiols and disulfide compounds OR SN2 >> Nucleophilic substitution at
Nitrogen atom OR SN2 >> Nucleophilic substitution at Nitrogen atom >>
N-nitroso compounds OR SN2 >> Nucleophilic substitution at Nitrogen atom
>> N-oxicarbonyl amides OR SN2 >> Nucleophilic substitution at sp3
Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >>
Activated alkyl esters OR SN2 >> Nucleophilic substitution at sp3 Carbon
atom >> alpha-activated haloalkanes OR SN2 >> Nucleophilic substitution
at sp3 Carbon atom >> alpha-haloalkanes OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> N-nitroso compounds OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Phosphates OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Phosphonates OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Sulfonates OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Thiophosphates OR SN2 >>
Nucleophilic substitution on benzylic carbon atom OR SN2 >> Nucleophilic
substitution on benzylic carbon atom >> alpha-activated benzyls OR SN2
>> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters
OR SN2 >> Nucleophilic substitution on heterocyclic sulfenamides OR SN2
>> Nucleophilic substitution on heterocyclic sulfenamides >>
Heterocyclic sulfenamides OR SN2 >> Nucleophilic substitution to the
central carbon atom of N-nitroso compounds OR SN2 >> Nucleophilic
substitution to the central carbon atom of N-nitroso compounds >>
N-nitroso compouns excluding aromatic OR SN2 >> Ring opening SN2
reaction OR SN2 >> Ring opening SN2 reaction >> Epoxides, Aziridines and
Sulfuranes OR SN2 >> Ring opening SN2 reaction >> Isothiazolones
derivatives OR SN2 Ionic OR SN2 Ionic >> Nucleophilic substitution at
sulfur atom in disulfides OR SN2 Ionic >> Nucleophilic substitution at
sulfur atom in disulfides >> Arenesulfinic acids OR SNAr OR SNAr >>
Nucleophilic aromatic substitution on activated halogens OR SNAr >>
Nucleophilic aromatic substitution on activated halogens >> Activated
haloarenes by Protein binding by OASIS v1.1
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis
Metabolism
boundary:Metabolism
simulator:Observed Rat In vivo metabolism
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.1
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.62
Applicant's summary and conclusion
- Conclusions:
- The reproductive toxicity NOAEL (No observed Adverse effect level) of phenetole in rat is predicted at a dose concentration of 1360 mg/kg bw/day.This indicates that phenetole shall not exhibit toxic effect to mouse below the above mention dose.
- Executive summary:
The NOAEL for phenetole is estimated to be 1360 mg/kg bw/day for rat for 8 weeks using the toolbox version 3.2. The data is estimated to be based on the data summarized below
CAS no.
End point
Value
Species
Doses
Duration
Effects
Remarks
104-93-8
NOAEL(general systemic toxicity, Fertility, Developmental toxicity)
>= 1000 mg/kg bw/day
Rat Wistar
100, 300, 1000 mg/kg bw/d
8 weeks
No test substance related adverse effects observed.
Parameters-clinical signs; mortality; body weight, food consumption
Litter observation-number and sex of pups (Sex ratio), stillbirths, live births, postnatal mortality, presence of gross anomalies, clinical symptoms, body weights
Gross and histopathology,Reproductive indices and viability index.
NOAEL
(general systemic toxicity, Fertility, Developmental toxicity)
100 mg/kg bw/day
Rat Wistar
100, 300, 1000 mg/kg bw/d
8 weeks
No test substance related adverse effects observed.
Overall effects as above
770-35-4
NOAEL
500 ppm(477.5 mg/kg body weight/day (mean dose)
Rat Wistar
100 ppm(11.3 mg/kg body weight/day (mean dose)), 1000 ppm(113.9 mg/kg body weight/day (mean dose), 5000 ppm(477.5 mg/kg body weight/day (mean dose)
40 weeks
No effects
Based on reproductive performance and fertility
NOAEL(Develomental and general systemic toxicity)
1000 ppm
(113.9 mg/kg body weight/day)
Same as above
Same as above
Same as a above
No effects
Pathology and histopathology did not reveal substance-related adverse effects
122-99-6
LOAEL reproductive effects(Male)
> 3700 mg/kg bw/day
Mouse CD 1
0, 0.25, 1.25, 2.5 %(These concentrations produced calculated consumption estimates of nearly equal to 375, 1875, and 3700 mg/kg/day).
126 days
Based on the absence of effects on male fertility
LOAEL reproductive effects(Female)
1875 mg/kg bw/day
Same as above
Same as above
Same as above
Based on reduced offspring body weight
NOAEL reproductive effects(male)
ca. 3700 mg/kg bw/day
Same as above
Same as above
Same as above
No effects on sperm measures and test substance intake
NOAEL reproductive effects(Female)
ca. 1875 mg/kg bw/day
Same as above
Same as above
Same as above
No effects on estrous cyclicity.
Based on the above values it is concluded that estimated value 1360 mg/kg bw/day of the target substance phenetole is more close to NOAEL value of readacross CAS 104-93-8 that is >= 1000 mg/kg bw/day. Considering the proximity between the two values it is assessed that the predicted value 1360 mg/kg bw/day of target is an NOAEL value. On the basis of this assessement it is concluded that the reproductive toxicity NOAEL value of phenetole in wistar rat via dermal route for a duration of 8 weeks is predicted to be 1360 mg/kg bw/day.
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