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EC number: 229-633-2 | CAS number: 6635-20-7
- 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 โ 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
Key value for chemical safety assessment
Effects on fertility
Link to relevant study records
- Endpoint:
- one-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)
- Guideline:
- other: OECD Guideline 415 (One-Generation Reproduction Toxicity Study);OECD Guideline 452 (Chronic Toxicity Studies);OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test);OECD Guideline 453 (Combined Chronic Toxicity / Carcinogenicity Studies)
- 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
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Route of administration:
- oral: unspecified
- Duration of treatment / exposure:
- Subchronic
- Control animals:
- not specified
- Clinical signs:
- no effects observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Dose descriptor:
- NOAEL
- Effect level:
- 23.3 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: no effects were observed
- Remarks on result:
- other: not specified
- 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
- Remarks on result:
- not measured/tested
- 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
- Conclusions:
- The NOAEL value of 5-Nitrovanillin on rat was found to be 23.3 mg/kg bw/day (nominal) for Subchronic duration.
- Executive summary:
WoE Summary for Cas:6635-20-7
The NOAEL value of 5-Nitrovanillin is estimated to be 47.3 mg/kg bw/day (nominal) for sub acute duration on rat (23.3mg/kg bw/day (nominal) for 90 days) using the toolbox .
The data is estimated to be based on the data summarized below
Sr no.
CAS no
End point
Value
Species
Doses
Duration
Effects
Remarks
1
1671-49-4
NOAEL
15 mg/kg bw/day (nominal)
Rat
0 (control), 2, 15, 100 mg/kg/day
10 weeks
no effects were observed
2
119313-12-1
NOAEL reproductive toxicity
79.6mg/kg bw/day (nominal))
Dog
0.57, 3.9, 35 mg/kg bw/d
chronic
No effects on body weight; food consumption and compound intake organ weights; histopathology
The above table consist of various reproductive toxicity studies available for the read across substances for CAS: 6635-20-7.Based on the above results it can be observed that NOAEL values are in the range of 15 โ 79.6 mg/kg bw/day(nominal) the no effects observed on the above doses are listed as follows.
ยท body weight; food consumption and compound intake organ weights; histopathology
Thus based on above discussion it can be concluded that estimated value 47.3 mg/kg/day(actual dose recived) (23.3mg/kg bw/day (nominal) for 90 days)) for the substance (CAS: 6635-20-7) and it is close to the 15 mg/kg bw/day (nominal).
CAS no
End point
Value
Species
Duaration
1671-49-4
NOAEL
7.5 mg/kg bw/day (nominal)
Rat
90 days
25321-14-6
NOAEl
55.7mg/kg bw/day (nominal)
Rat
90 days
Thus the calculated NOAEL of analogues for 90 days for the species rat is within the range of 7.5 โ 55.6 mg/kg bw /day(nominal). Thus the predicted NOAEL value is (calculated to be) 31.6 mg/kg/day(nominal) with 90 days for rat (harmonized using assessment factors) falls within the domain using Log Kow as the descriptor and justified to be used as NOAEL for further DNEL calculation for the purpose of risk assessment. Also it does not impact the classification of the substance thus the predicted value considered to be acceptable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOEL,"NOAEL reproductive toxicity","NOAEL (single
application)",NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and "h" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) AND
Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism by ROS formation AND Radical >> Radical mechanism by ROS
formation >> Nitro Compounds AND SN1 AND SN1 >> Nitrenium ion formation
AND SN1 >> Nitrenium ion formation >> Nitro Compounds by DNA binding by
OASIS v.1.1
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Schiff base formation AND Schiff
base formation >> Schiff base formation with carbonyl compounds AND
Schiff base formation >> Schiff base formation with carbonyl compounds
>> Aldehydes by Protein binding by OASIS v1.1
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Nitrophenols/ Halophenols
(Energy metabolism dysfuntion) Rank B by Repeated dose (HESS)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.927
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.14
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 23.3 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Model considered reliable by OECD.
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
WoE Summary of 6635-20-7 for toxicity to reproduction
Based on the various studies available with Klimish rating 2 for the target as well as read across substances for CAS: 6635-20-7. The results is summarized as follows:
Sr. No |
End point |
Value |
Species |
Route |
Effects |
Remarks |
1 |
NOAEL |
23.3 mg/kg bw/day(nominal) |
Male/female Rat |
Oral |
No effects were observed. |
Predicted data forCAS: 6635-20-7 |
2 |
NOAEL |
>50 mg/kg bw/day |
Male /Female mouse |
intraperitonial |
No effects on number of live fetuses, fetal body weight,fetal mortality and incidence of external and skeletal abnormalities. |
Data from publication for RA CAS: 121-33-5 |
Based on the studies summarized with various routes in the above table it can be observed that NOAEL values is found to be in the range of 23.3- 50 mg/Kg bw/ d .The no effects observed on the higher doses was listed as follows:
ยท Effects on number of live fetuses, fetal body weight, fetal mortality and incidence of external and skeletal abnormalities.
Thus based on above discussion it can be concluded that substance CAS: 6635-20-7 has no observed adversed effect value (NOAEL) as 23.3 mg/kg bw/d via oral route .thus based on these values it is considered that CAS: 6635-230-7 does not have any reproductive toxic effect below the mentioned dose levels Also there are no known evidence of adverse effect on reproduction to Human of CAS: 6635-20-7.
Justification for selection of Effect on fertility via oral route:
. The no observed adversed effect level (NOAEL) in Rat male/female; as predicted by the QSAR model was found to be 23.3 mg/kg/day(nominal) for a 90 days exposure period
Effects on developmental toxicity
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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)
- Guideline:
- other: Prediction using category approach; QSAR Toolbox 3.1; Read Across; 5 nearest analogues; Log Kow as descriptor
- 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
- Species:
- rat
- Strain:
- Sprague-Dawley
- Route of administration:
- oral: unspecified
- Duration of treatment / exposure:
- Subchronic
- Dose descriptor:
- NOEL
- Effect level:
- 85 mg/kg bw/day
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- not specified
- Description (incidence and severity):
- not specified
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- other: not specified
- Description (incidence and severity):
- not specified
- Developmental effects observed:
- not specified
- Treatment related:
- not specified
- Relation to maternal toxicity:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Conclusions:
- The NOEL no observed effect level of 5-Nitrovanilin on rat was predicted to be 85 mg/kg bw/day for 90 days
- Executive summary:
WoE Summary for Cas: 6635-20-7
The NOEL value of 5,nitrovanillain isestimated to be 255 mg/kg bw/day for sub-acute duration (85 mg/kg bw/day for 90 days) of rat using the toolbox version 3.2.
The data is estimated to be based on the data summarized below
Sr no.
CAS no
End point
Value
Species
Doses
Duration
Effects
Remarks
1
6358-09-4
NOEL
350 mg/kg bw/day
Rat
6,87.5,175,350 mg/kg/day
15 days
-no effects
2
5307-14-2
NOEL
160 mg/kg/day
Mouse
17,64,32,128,160 mg/kg/day
14 days
no adverse effects
The above table consist of various developmental toxicity studies available for the read across substances for CAS: 6635-20-7.Based on the above results it can be observed that NOEL values are in the range of 160 โ 350 mg/kg bw./day for rat . The no effects observed on the above doses .
Thus based on above discussion it can be concluded that toxicity of the target chemical 255 mg/kg bw/day (85 mg/kg bw/day for 90 days) is predicted from category members using read-across based on above values and it is close to ( 350 mg/kg/day) for sub-acute duration of rat from nearest neighbors compared by prediction descriptors.
Sr no.
CAS no
End point
Value
Species
Duration
Remarks
1
6358-09-4
NOEL
116 mg/kg bw/day
Rat
90 days
2
5307-14-2
NOEL
93.27 mg/kg/day
Rat
90 days
Thus the calculated NOEL of analogues for 90 days for the species rat is within the range of 93 .27 โ 116 mg/kg bw /day. Thus the predicted NOEL value is (calculated to be)104 .6mg/kg bw/dwith 90 days for rat (harmonized using assessment factors) falls within the domain using Log Kow as the descriptor and justified to be used as NOEL for further DNEL calculation for the purpose of risk assessment. Also it does not impact the classification of the substance thus the predicted value considered to be acceptable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOEL,LOEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and ("j"
and "k" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) AND
Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism by ROS formation AND Radical >> Radical mechanism by ROS
formation >> Nitro Compounds AND SN1 AND SN1 >> Nitrenium ion formation
AND SN1 >> Nitrenium ion formation >> Nitro Compounds by DNA binding by
OASIS v.1.1
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Schiff base formation AND Schiff
base formation >> Schiff base formation with carbonyl compounds AND
Schiff base formation >> Schiff base formation with carbonyl compounds
>> Aldehydes by Protein binding by OASIS v1.1
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Nitrophenols/ Halophenols
(Energy metabolism dysfuntion) Rank B by Repeated dose (HESS)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Schiff Base Formers OR Schiff
Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers
>> Direct Acting Schiff Base Formers >> Di-substituted alpha,
beta-unsaturated aldehydes OR Schiff Base Formers >> Direct Acting
Schiff Base Formers >> Mono-carbonyls OR SN2 OR SN2 >> SN2 reaction at
sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl
acetates and related chemicals OR SN2 >> SN2 reaction at sp3 carbon atom
>> Thiophosphates OR SNAr OR SNAr >> Nucleophilic aromatic substitution
OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-benzenes
by Protein binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives
Domain
logical expression index: "i"
Similarity
boundary:Target:
c1(OC)c(O)c(N(=O)=O)cc(C=O)c1
Threshold=40%,
Dice(Atom centered fragments)
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.55
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.64
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 85 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Model considered realiable by OECD
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Additional information
WoE Summary of 6635 -20 -7 for developmental toxicity
Based on the various studies available with Klimish rating 2 & 4 for the target as well as for read across cas. The results is summarized as follows
Sr.No |
Endpoint |
Effect Type |
Effect values |
Species |
Route of Administration |
Effects |
Sources |
1 |
NOEL |
Developmental toxicity |
85 mg/kg bw/day |
Rat |
Oral |
No effects were observed |
Predicted data for target Cas :6635-20-7 |
2 |
NOAEL
NOEL |
Maternal toxicity
teratogenicity |
250 mg/kgbw/day
500 mg/kgbw/day |
Rat |
Oral |
only effects reported with only few details: death, clinical signs and change in body weight and feed consumption
no adverse effects were observed |
Experimental data for RA Cas:121-33-5 |
3 |
NOAEL |
Developmental toxicity |
>50 mg/kg bw/day |
mouse |
Oral |
No effects were observed |
Experimental data for RA Cas:121-33-5 |
3 |
no NOAEL identified |
Teratogenicty |
Negative effects |
chicken embryo |
Through injection |
No teratogenic effects observed |
Experimental data for RA Cas:121-33-5 |
Based on the studies summarized in the above table with oral route it can be observed that the NOEL & NOAEL values varies from 50-500mg/Kg bw/ d. The no effects observed on the these doses was listed as follows
ยท only effects reported with only few details: death, clinical signs and change in body weight and feed consumption
Thus based on above discussion it can be concluded that substance CAS: 6635-20-7 has no effective dose value (NOEL) as 85 mg/kg bw/day thus based on this value it can be concluded that substance CAS: 6635-20-7 is considered to be not toxic to Developmental toxicity as well as developmental effects below the above mentioned dose. Also there are no known evidence of adverse effect on reproduction to Human of CAS: 6635-20-7.
Justification for selection of Effect on developmental toxicity: via oral route:
The NOEL no observed effect level of 5-Nitrovanilin on rat was predicted to be 85 mg/kg bw/day for 90 days
Justification for classification or non-classification
In the absence of available studies pertaining to the reproduction toxicity and developmental toxicity, the predicted values do not suggest 5 -nitrovanillin to be a reproductive and developmental toxicant
Additional information
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.