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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 946-037-4 | 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-06-20 to 2017-06-20
- 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
- Remarks:
- Use of valid QSAR
- Justification for type of information:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- Koc was calculated from Log Kow
- GLP compliance:
- no
- Remarks:
- Calculated results
- Type of method:
- other: QSAR
- Media:
- soil
- Radiolabelling:
- no
- Computational methods:
- Koc has been calculated with a Log Kow of 4.80 as input using the following equations:
For non-polar compound (no correction factor):
log Koc = 0.8679 Log Kow - 0.0004
(n = 68, r2 = 0.877, std dev = 0.478, avg dev = 0.371)
With correction factors:
log Koc = 0.55313 Log Kow + 0.9251 + ΣPfN
where ΣPfN is the summation of the products of all applicable correction factor coefficients multiplied by the number of times (N) that factor is counted for the structure. - Type:
- Koc
- Value:
- 14 640 L/kg
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Koc of alpha-pinene predicted from log Kow using KOCWIN v2.00 from EPISUITE 4.1 software is 14640 L/kg.
- Executive summary:
Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.
The Koc of alpha-pinene predicted from a log Kow of 4.80 is 14640 L/kg.
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-06-20 to 2017-06-20
- 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
- Remarks:
- Use of valid QSAR
- Justification for type of information:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- Calculations by Molecular Connectivity Index (MCI)
- GLP compliance:
- no
- Remarks:
- Calculated results
- Type of method:
- other: QSAR
- Media:
- soil
- Radiolabelling:
- no
- Computational methods:
- Calculations by Molecular Connectivity Index (MCI) using the CAS number as input and using the following equations:
For non-polar compound (no correction factor):
log Koc = 0.5213 MCI + 0.60
(n = 69, r2 = 0.967, std dev = 0.247, avg dev = 0.199)
With correction factors:
log Koc = 0.5213 MCI + 0.60 + ΣPfN
where ΣPfN is the summation of the products of all applicable correction factor coefficients multiplied by the number of times (N) that factor is counted for the structure. - Type:
- Koc
- Value:
- 1 020 L/kg
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The predicted Koc for alpha-pinene using the Molecular Connectivity Index method from KOCWIN v2.00 is 1020 L/kg.
- Executive summary:
Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.
The Molecular Connectivity Index method predicted a Koc of alpha-pinene of 1020 L/kg.
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-06-20 to 2017-06-20
- 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
- Remarks:
- Use of valid QSAR
- Justification for type of information:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: Reach guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- Koc was calculated from Log Kow according to TGD 2003.
- GLP compliance:
- no
- Remarks:
- Calculated results
- Type of method:
- other: QSAR
- Media:
- soil
- Radiolabelling:
- no
- Computational methods:
- Koc was calculated from Log Kow according to equations defined by Sabljic and Güsten (1995) for non hydrophobic substances as reported in the
TGD, 2003: logKoc = 0.52 logKow + 1.02
Input: log kow = 4.80 - Type:
- Koc
- Value:
- 3 281 L/kg
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Koc of alpha-pinene predicted from log Kow following equations of Sabljic and Güsten (1995) for non hydrophobic substances is 3281 L/kg.
- Executive summary:
Koc has been predicted by calculations using equations of Sabljic and Güsten (1995) for non hydrophobic substances.
The Koc of alpha-pinene predicted from log Kow is 3281 L/kg.
Referenceopen allclose all
None
None
None
Description of key information
Alpha-pinene exhibits a Koc of 3659 L/kg, estimated by the use of QSAR Methods corresponding to a log Koc of 4.8.
Key value for chemical safety assessment
- Koc at 20 °C:
- 3 659
Additional information
Koc of alpha-pinene has been estimated by 3
QSAR methods:
1. with KOCWIN from EPISUITE 4.1 using CAS number as input and the
Molecular Connectivity Method (MCI) = 1020 L/kg;
2. with KOCWIN from EPISUITE 4.1 using experimental Log Kow and CAS
number as input = 14 640 L/kg;
3. from experimental log Kow with equation of Sabljic and Güsten (1995)
for non hydrophobic susbtances as reported in TGD (2003) = 3281 L/kg.
The geometric mean of the 3 Koc predicted values is considered for
chemical safety assessment = 3659 L/kg.
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.