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EC number: 500-315-8 | CAS number: 127087-87-0 1 - 2.5 moles ethoxylated
- 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
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Endpoint summary
Administrative data
Description of key information
Estimated LD50 was considered to be 1602 mg/kg when rats were treated with poly(oxy-1,2-ethanediyl),?-(4-nonylphenyl)-?-hydroxy-, branched orally.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute 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:
- Data is predicted using OECD QSAR toolbox version 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Test type:
- other: estimated
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched
- Molecular formula (if other than submission substance): C23H40O5
- Molecular weight (if other than submission substance): 396.63 g/mol
- Substance type: Organic
- Physical state: Liquid - Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data avaialble
- Route of administration:
- other: Oral
- Details on oral exposure:
- No data avaialble
- Doses:
- 1602 mg/kg
- No. of animals per sex per dose:
- No data avaialble
- Control animals:
- not specified
- Details on study design:
- No data avaialble
- Statistics:
- No data avaialble
- Preliminary study:
- No data avaialble
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 1 602 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % moratlity observed
- Mortality:
- No data avaialble
- Clinical signs:
- other: No data avaialble
- Gross pathology:
- No data avaialble
- Other findings:
- No data avaialble
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- estimated LD50 was considered to be 1602 mg/kg when rats were treated with Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched orally.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, acute oral toxicity was estimated in rats for Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched orally. The LD50 was estimated to be 1602 mg/kg when rats were treated with Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched orally.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
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 (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and "t" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Nonionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkane, branched
with tertiary carbon AND Alkyl arenes AND Aryl AND Ether by Organic
Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkyl arenes AND
Ether AND Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
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 Hydroxy, aliphatic attach [-OH] AND Olefinic carbon [=CH- or
=C<] AND Oxygen, aliphatic attach [-O-] AND Oxygen, one aromatic attach
[-O-] AND Tertiary Carbon by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkylarylether AND
Aromatic compound AND Dialkylether AND Ether AND Hydroxy compound AND
Primary alcohol by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
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, OH group OR Very strong binder, OH group by Estrogen
Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates by Protein binding by OECD
Domain
logical expression index: "j"
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: "k"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition OR
Nucleophilic addition >> Addition to carbon-hetero double bonds OR
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones by Protein binding alerts for skin sensitization by OASIS v1.4
Domain
logical expression index: "l"
Similarity
boundary:Target:
CCCC(C)CC(C)Cc1ccc(OCCOCCOCCOCCOCCO)cc1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as 4,4'-Diethylaminoethoxyhexestrol
(Hepatotoxicity) Alert OR Halobenzenes (Hepatotoxicity) Rank A OR
Halobenzenes (Renal toxicity) Rank A OR Thiocarbamates/Sulfides
(Hepatotoxicity) No rank by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >>
Methylenedioxyphenyl OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >>
Iminium Ion Formation >> Aliphatic tertiary amines by DNA binding by OECD
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as 1,3-Benzodioxoles (Nongenotox)
OR Phtalate (or buthyl) diesters and monoesters (Nongenotox) OR
Structural alert for nongenotoxic carcinogenicity by Carcinogenicity
(genotox and nongenotox) alerts by ISS
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.02
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.3
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 602 mg/kg bw
- Quality of whole database:
- Data is from QSAR toolbox 3.4 (2017)
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Acute oral toxicity:
In different studies, Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS no 127087-87-0 ) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated studies in rodents, i.e. most commonly in rats and rabbit for Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched along with the study available on structurally similar read across substance Nonoxynol -9 (CAS no 26027-38-3). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, acute oral toxicity was estimated in rats for Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched orally. The LD50 was estimated to be 1602 mg/kg when rats were treated with Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched orally.
In another study conducted by LONZA INC (OTS0558916, Consumer Prod Testing Co Inc, page no 1-15, 1996), acute oral toxicity was evaluated in male and female rats by using Carsonon N-10 (Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched) in the concentration of 5000 mg/kg bw orally. All the treated male and female rats were dead at 5000 mg/lg bw. Therefore, LD50 was considered to be < 5000 mg/kg bw when male and female rats were treated with Carsonon N-10 (Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched) orally.
In a above similar experimental study, another group of 3 male and 3 female rats were treated with Carsonon N-10 (Poly(oxy-1,2-ethanediyl), .alpha.-(4-nonylphenyl)-.omega.-hydroxy-, branched) in the concentration of 630, 1260, 2250, 3140 mg/kg (40 ml/kg top dose mechanically feasible) orally. 2 male and all female died at 2250 and 3140 mg/kg, 2 female died at 1260 mg/kg and 1 male died at 630 mg/kg. Therefore, LD50 was considered to be 1890 mg/kg bw (1330 - 2690) when male and female rats were treated with Carsonon N-10 (Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched) orally.
Also it is further supported experimental data by Cosmetic Ingredient Review (Journal of the American College of Toxicology, Volume 2, Number 7, 1983) and U.S. National Library of Medicine (ChemIDplus, Toxnet Database, 2017) on another structurally similar read across substance Nonoxynol -9 (CAS no 26027-38-3), male and female rabbits were treated with Nonoxynol -9 in the concentration of 100% orally by gavage. 50 % mortality observed in treated rabbits at 657.2 mg/kg bw. Somnolence (General Depressed Activity) and Acute Pulmonary Edema of Lungs, Thorax, or Respiration: was observed in treated rabbits. Therefore, LD50 was considered to be 657.2 mg/kg bw (265-1664.2 for male) and (296.8 -1452.2 for female ) when male and female rabbits were treated with Nonoxynol -9 orally.
Thus based on the above studies and predictions on Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched and its read across substances and considering the weight of evidence, it can be concluded that LD50 value is less than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, Poly(oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched can be classified as “Category IV “of acute oral toxicity.
Justification for classification or non-classification
Based on the weight of evidence for target Poly (oxy-1,2-ethanediyl), .alpha.-(4-nonylphenyl)-.omega.-hydroxy-, branched (CAS no 127087-87-0 ) and its read across Nonoxynol -9 (CAS no 26027-38-3) is likely to be hazardous by oral route of exposure and as per criteria of CLP regulation comes under ‘Category IV’
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