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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: 406-040-9 | CAS number: 125643-61-0
- 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
Acute Toxicity: other routes
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- acute toxicity: other routes
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- A real grade of toxicity of a NOAEL is not possible to evaluate with the aid of the modeling tool. It delivers only information about “direction” of toxicity and states that the substance is of intermediate toxicity (“Class II” according to the modeling tool).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Prediction by Toxtree modelling tool
- GLP compliance:
- no
Test material
- Details on test material:
- Chemical nonyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate evaluated by Toxtree modeling tool represent structure with C9 alkyl chain from isomeric mixture of Reaction mass of isomers of: C7-9-alkyl 3-(3,5-di-trans-butyl-4-hydroxyphenyl) propionate.
Constituent 1
Test animals
- Species:
- other: not applicable
Administration / exposure
- Route of administration:
- other: not applicable
Results and discussion
Effect levels
- Dose descriptor:
- other: Prediction
- Effect level:
- other: Intermediate level of toxicity
- Based on:
- other: QSAR rules evaluating structural alerts
Any other information on results incl. tables
Explanations of QSAR rules
Q1.Normal
constituent of the body:No
Q2.Contains
functional groups associated with enhanced toxicity:No
Q3.Contains
elements other than C,H,O,N,divalent S:No
Q43.Possibly
harmful divalent sulphur (not detected via Q3):No
Q5.Simply
branched aliphatic hydrocarbon or a common carbohydrate:No
Q6.Benzene
derivative with certain substituents:No
Q42.Possibly
harmful analogue of benzene:No
Q7.Heterocyclic:No
Q16.Common
terpene:No
Q17.Readily
hydrolysed to a common terpene:No
Q19.Open
chain:No
Q23.Aromatic:Yes
Q27.Rings
with substituents:Yes
Q28.More
than one aromatic ring:No
Q30.Aromatic
Ring with complex substituents:No
Q18.One
of the list (see explanation Toxtree manual):Yes
Applicant's summary and conclusion
- Conclusions:
- Test substance is of intermediate level of toxicity because it is not normal constituent of the body and contains aromatic ring with substituents
- Executive summary:
Nonyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is of intermediate level of toxicity because it is not normal constituent of the body and contains aromatic ring with substituents. According to the rules of Toxtree, the aromatic structure of a substance with one aromatic ring and substituents like hydroxyl group and aliphatic tert-butyl branches belongs to the group of chemicals which may act as toxicants. However, the substance does not contain functional groups associated with enchanced toxicity (no aliphatic secondary amines or salts thereof, cyano, N-nitroso, diazo or quarternary nitrogen etc). The structure is not heterocyclic or terpene or hydrolized terpene and does not contain Cl or alkoxy groups.
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.
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