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EC number: 260-555-1 | CAS number: 57082-24-3
- 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
Endpoint summary
Administrative data
Description of key information
Acute oral toxicity:
Acute oral toxicity dose (LD50) of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) was considered to be >5000 mg/kg bw, based on experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 839, 1974), Richard J. Lewis (Sax's Dangerous Properties of Industrial Materials, 12th Edition, 5 Volume Set, 2012), U.S. National Library of Medicine (ChemIDplus,2017) and U.S. Environmental Protection Agency (Chemistry Dashboard, 2018); predicted study based on OECD QSAR toolbox 4069 mg/kg bw and different studies available on structurally similar read across substances [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3) 44750 mg/kg bw; and 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5) 4600 mg/kg bw. All these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate cannot be classified for acute oral toxicity.
Acute Inhalation toxicity:
[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) has very low vapour pressure (0.00036 mmHg), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point was considered for waiver.
Acute Dermal toxicity:
Acute Dermal toxicity dose (LD50) of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) was considered to be >5000 mg/kg bw, based on experimental study conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 839, 1974), Richard J. Lewis (Sax's Dangerous Properties of Industrial Materials, 12th Edition, 5 Volume Set, 2012) and U.S. National Library of Medicine (ChemIDplus,2017); predicted study based on OECD QSAR toolbox 6103 mg/kg bw and different studies available on structurally similar read across substances [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3) >5000 mg/kg bw; and 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5) >5000 mg/kg bw. All these studies concluded that the LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate cannot be classified for acute dermal toxicity.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from publication.
- Qualifier:
- according to guideline
- Guideline:
- other: As mentioned below
- Principles of method if other than guideline:
- Acute oral toxicity study of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) in Rat.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate
- InChI: 1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1
- Smiles: CC(=O)O[C@@]12CCC[C@@](C)(CC [C@@H]3[C@@H]1CC3(C)C)C2
- Common Name of test material :Caryophyllene acetate
- Molecular formula:C17H28O2
- Molecular weight:264.4062 g/mol
- Substance type: Organic
- Physical state: Colorless slightly viscous liquid with a mild fruity woody odor. - Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- not specified
- Doses:
- 5000 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No mortality was observed
- Mortality:
- No mortality was observed at 5000 mg/kg bw.
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- other: Not classified
- Conclusions:
- The acute oral LD50 value was considered to be >5000 mg/kg bw, when rats were treated with [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) via oral route.
- Executive summary:
Acute oral toxicity study of[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) was conducted in rats at the concentration of 5000 mg/kg bw. No mortality was observed in treated rats at5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate via oral route.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from publication.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Quality of whole database:
- Waiver
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from publication.
- Qualifier:
- according to guideline
- Guideline:
- other: As mentioned below
- Principles of method if other than guideline:
- Acute Dermal toxicity study of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) in Rabbit.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate
- InChI: 1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1
- Smiles: CC(=O)O[C@@]12CCC[C@@](C)(CC [C@@H]3[C@@H]1CC3(C)C)C2
- Common Name of test material :Caryophyllene acetate
- Molecular formula:C17H28O2
- Molecular weight:264.4062 g/mol
- Substance type: Organic
- Physical state: Colorless slightly viscous liquid with a mild fruity woody odor. - Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- other: Dermal
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- not specified
- Duration of exposure:
- not specified
- Doses:
- 5000 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No mortality was observed
- Mortality:
- No mortality was observed at 5000 mg/kg bw.
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- other: Not classified
- Conclusions:
- The acute Dermal LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) by dermal application.
- Executive summary:
Acute Dermal toxicity study of [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) was conducted in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate by dermal application.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from publication.
Additional information
Acute oral toxicity:
In different studies, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats for [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate along with the study available on structurally similar read across substances [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3) and 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
The experiment conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 839, 1974), Richard J. Lewis (Sax's Dangerous Properties of Industrial Materials, 12th Edition, 5 Volume Set, 2012), U.S. National Library of Medicine (ChemIDplus, 2017) and U.S. Environmental Protection Agency (Chemistry Dashboard, 2018), acute oral toxicity dose (LD50) was considered by using target chemical [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5] dodecan-1-yl acetate (CAS no: 57082-24-3) in rats at the concentration of 5000 mg/kg bw. No mortality was observed in treated rats at 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate via oral route.
The above study is supported by the prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3). The LD50 was estimated to be 4069 mg/kg bw, when 5 male and female Osborne-Mendel rats were treated with [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5] dodecan-1-yl acetate via oral gavage route.
This above experimental and prediction study of target substance [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) is supported by Jenner et al.(Food and Cosmetics Toxicology, Vol. 2, page 327-343, 1964), D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 847, 1974) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3). Acute oral toxicity study was conducted in Groups of 10 male and female Osborne-Mendel rats at the test concentration of 44750 mg/kg (Range of 33650-59520mg/kg). All animals were maintained under close observation for recording toxic signs and time of death. Such observation was continued until animals appeared normal and showed weight gain. Animals were observed for general clinical signs. LD50's were computed by the method of Litchfield & Wilcoxon (1949). 50% mortality was observed at 44750 mg/kg bw within 4hr to 11days of observation period. Clinical signs such as, scrawny appearance, rough, wet fur and general depressed activity were observed in treated rats. Therefore, LD50 value was considered to be 44750 mg/kg bw, with 95% confidence limit of 33650-59520 mg/kg bw, when male and female Osborne-Mendel rats were treated with [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate via oral gavage route.
These above studies are further supported by D. L. J. Opdyke (Food and Chemical Toxicology, Vol. 30, Pg. 13S, 1992) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5). Acute oral toxicity study was conducted in rats at the concentration of 4600 mg/kg (Range of 2700-7800 mg/kg). 50% mortality was observed in treated rats at 4600 mg/kg bw. Therefore, LD50 was considered to be 4600 mg/kg bw, with the 95% confidence limit of 2700-7800 mg/kg bw, when rats were treated with2-tert-butylcyclohexyl acetate (CAS no: 88-41-5) via oral route.
Thus, based on the above studies on [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate cannot be classified for acute oral toxicity.
Acute Inhalation toxicity:
[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) has very low vapour pressure (0.00036 mmHg), so the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore this end point was considered for waiver.
Acute Dermal toxicity:
In different studies, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate along with the study available on the structurally similar read across substances [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3) and 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
The experiment conducted by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 839, 1974), Richard J. Lewis (Sax's Dangerous Properties of Industrial Materials, 12th Edition, 5 Volume Set, 2012) and U.S. National Library of Medicine (ChemIDplus, 2017), acute dermal toxicity dose (LD50) was considered by using target chemical [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5] dodecan-1-yl acetate (CAS no: 57082-24-3) in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with[1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate by dermal application.
The above study is supported by the prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3). The LD50 was estimated to be 6103 mg/kg bw, when 3 male and female New Zealand White rabbits were treated with [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5] dodecan-1-yl acetate for 24 hours by dermal application occlusively.
This above experimental and prediction study of target substance [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) is supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 847, 1974) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate (CAS no: 77-54-3). Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed at 5000 mg/kg bw. Therefore, LD50 value was considered to be >5000 mg/kg bw, when rabbits were treated with [3R-(3α,3aβ,6α,7β,8aα)]-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate by dermal application.
These above studies are further supported by D. L. J. Opdyke (Food and Chemical Toxicology, Vol. 30, Pg. 13S, 1992) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5). Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000mg/kg bw. No mortality was observed in treated rats at 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 2-tert-butylcyclohexyl acetate (CAS no: 88-41-5) by dermal application.
Thus, based on the above studies on [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate cannot be classified for acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate (CAS no: 57082-24-3) and it’s read across substances, it can be concluded that LD50 value is >2000 mg/kg bw for acute oral and dermal toxicity. Thus, comparing this value with the criteria of CLP regulation, [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo [6.3.1.02,5]dodecan-1-yl acetate cannot be classified for acute oral and dermal toxicity. For Acute Inhalation toxicity wavier was added so, not possible to classify.
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