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Diss Factsheets
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EC number: 946-324-4 | CAS number: -
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 07 - 10 November 2016
- 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 adequate and reliable documentation / justification
- Guideline:
- other: REACH guidance on QSARs R.6, OECD Guideline 203 (Fish, Acute Toxicity Test), with modifications from OECD Series on Testing and Assessment no. 23 on ecotoxicity testing of difficult substances.
- Principles of method if other than guideline:
- The QSAR method was validated using data from tests preformed using the OECD document 23 recommnedations for poorly water soluble complex mixtures. The QSAR is thus validated not be compliant inline with such methods/recommendations.
- Specific details on test material used for the study:
- The substance is a mixture. The toxicity is, therefore, based on seperately determined QSAR endpoints for each constiuent, the reports for which can be found in section 6.1.1 of this dossier.
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LL50
- Effect conc.:
- 5.8 mg/L
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The 96 hour LL50 to fish of the reaction mass of (4R)-4-isopropenyl-1-methylcyclohexene and (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene, estimated from the iSafeRat v.2.2 QSAR inputs from each constituent and, calculations based on thermodynamics of each constituent and there eventual contribution to the toxicity was 5.8 mg/L. The endpoint value is considered valid for use in risk assessment (including PBT assessment) and classification and labelling. The prediction is adequate as contributing data for the Classification and Labelling or risk assessment of the substance as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3.
- Executive summary:
This approach uses a thermodynamically based module to calculate the water concentrations and the individual toxicity of each of the constituent is first derived from a QSAR model validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004). Then the effective loading rate of the mixture to the test organisms (i.e. fish) is determined as a Water Accommodated Fraction (WAF) test (OECD, 2000).
The inputs into the model all came from reliable QSAR estimations. The endpoint value is considered valid for use in risk assessment (including PBT assessment) and classification and labelling. The prediction is adequate as contributing data for the Classification and Labelling or risk assessment of the substance as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3.
The 96 hour LL50 for the test substance was estimated to be 5.8 mg/L.
Reference
Description of key information
Constituent 1: 96h Lc50 = 0.46 mg/L; REACH guidance on QSARs R.6, OECD Guideline 203 (Fish, Acute Toxicity Test), with modifications from OECD Series on Testing and Assessment no. 23 on ecotoxicity testing of difficult substances (Anon., 2017).
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 0.46 mg/L
Additional information
Ecotox endpoints and expected concentrations of each constituent in the mixture (based on % composistion w/w)
Constituent Name |
96h-LC50a (mg/L) |
Concentration in the WAF (mg/L) |
(4R)-4-isopropenyl-1-methylcyclohexene (limonene) |
0.46 |
1.3 |
(4R)-4-(2-methoxy-2-propanyl)-1-methylcyclohexene (ether MT) |
9.8 |
2.7 |
1-methyl-4-(2-propanylidene)cyclohexene (terpinolene) |
0.55 |
0.44 |
cis-1-methoxy-1-methyl-4-(1-propen-2-yl)cyclohexane (cis-1-methoxy-8-pmenthene) |
9.3 |
0.23 |
2-[(1S)-4-methyl-3-cyclohexen-1-yl]-2-propanol (α-terpineol) |
69 |
0.16 |
trans-1-methoxy-1-methyl-4-(1-propen-2yl)cyclohexane (trans-1-methoxy-8-p-menthene) |
9.3 |
0.07 |
1-methoxy-1-methyl-4-(2-propanylidene)cyclohexane (1-methoxy-4-p-menthene) |
11 |
0.14 |
cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane (cis-1,8-dimethoxy-p-menthane) |
198 |
0.43 |
trans-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane (trans-1,8-dimethoxyp-menthane) |
198 |
0.06 |
7-methyl-3-methylene-1,6-octadiene (myrcene) |
0.32 |
0.02 |
1-methyl-4-(2-propanyl)-1,3-cyclohexadiene (α-terpinene) |
0.40 |
0.03 |
1-methyl-4-(2-propanyl)-1,4-cyclohexadiene (γ-terpinene) |
0.55 |
0.03 |
aindividual reports for each constituent presented in Section 6.1.1
The 96h LC50 for constituent 1 = 0.46 mg/L is used for chemical safety assessment.
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.
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