Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 223-954-1 | CAS number: 4133-34-0
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one
- IUPAC name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one
- Molecular formula: C11H12O2
- Molecular weight: 176.214 g/mole
- Smiles : c12c(CCC(C1)=O)ccc(c2)OC
- Inchl: 1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
- Substance type: Organic
- Physical state: Liquid (Light yellow to yellow) - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: % degradation BOD
- Value:
- 18.12
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- The test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one undergoes 18.11 % degradation by considering BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one undergoes 18.11 % degradation by considering BOD as parameter and Microorganisms as inoculum in 28 days.
- Executive summary:
Biodegradability of test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one (CAS no. 4133 -34 -0) is predicted by using OECD QSAR tool box v. 3.4 using log Kow as primary descriptor. The test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one undergoes 18.11 % degradation by considering BOD as parameter and Microorganisms as inoculum in 28 days. Based on percent biodegradability it is concluded that test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one is not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" )
and "c" )
and "d" )
and "e" )
and "f" )
and "g" )
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition AND
Nucleophilic addition >> Addition to carbon-hetero double bonds AND
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones by Protein binding by OASIS v1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Class 1 (narcosis or baseline
toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Basesurface narcotics by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "j"
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: "k"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Piperazine-, dioxane-, morpholine-,
tetrahydrothiopyran-like derivatives and cyclohexanamine (17c) by DART
scheme v.1.0
Domain
logical expression index: "l"
Similarity
boundary:Target:
COc1ccc2CCC(=O)Cc2c1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 102
Da
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 187
Da
Description of key information
Biodegradability of test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one (CAS no. 4133 -34 -0) is predicted by using OECD QSAR tool box v. 3.4 using log Kow as primary descriptor. The test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one undergoes 18.11 % degradation by considering BOD as parameter and Microorganisms as inoculum in 28 days. Based on percent biodegradability it is concluded that test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data for target compound 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one (CAS no. 4133 -34 -0) and supporting weight of evidence studies for its closest read across chemicals with log Kow as a primary descriptor were reviewed for the biodegradation endpoint which are summarized as below.
In first weight of evidence study the Biodegradability of test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one (CAS no. 4133 -34 -0) was predicted by using OECD QSAR tool box v. 3.4 using log Kow as primary descriptor. The test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one undergoes 18.11 % degradation by considering BOD as parameter and Microorganisms as inoculums in 28 days. Based on percent biodegradability it is concluded that test chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one is not readily biodegradable.
Another prediction was done by using the Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one is expected to be not readily biodegradable.
The supporting weight of evidence study done from authoritative database ( J check, 2017) in this study the Biodegradation experiment was carried out of read across chemical 1-Chloro-2,5-dimethoxybenzene (CAS no. 2100-42-7) by taking activated sludge as inoculums at 30 mg/L concentration . The initial concentration of read across chemical taken was 100 mg/L. Biodegradation was analyzed by using two parameters namely BOD and HPLC. The study design was of standard type. Percent biodegradation of read across chemical 1-Chloro-2,5-dimethoxybenzene was observed to be 0.0 % by both BOD and HPLC parameters in 28 days. Therefore it is concluded that read across chemical 1-Chloro-2,5-dimethoxybenzene is not readily biodegradable.
Similarly, another supporting weight of evidence study done from same source as mentioned above ( J check, 2017)in this study the Biodegradation experiment was carried out of read across chemical 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane (CAS no.108-60-1) by taking activated sludge as inoculums at 30 mg/L concentration. The initial concentration of read across chemical taken was 100 mg/L. Biodegradation was analyzed by using three parameters namely BOD, TOC and GC. The study design was of improved type for volatile substance. Percent biodegradation of read across chemical 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane was observed to be 0.0 % by BOD and GC parameters and 6.0 % by TOC parameter in 28 days. Therefore it is concluded that read across chemical 1-chloro-2-[(1-chloropropan-2-yl)oxy]propane is not readily biodegradable.
On the basis of above results for target chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one (CAS no. 4133 -34 -0) from EPI suite 2017 and OECD QSAR tool box v3.4, 2017 and for its read across substances (from authoritative database) the target chemical 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one can be expected to be not readily biodegradable.
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.