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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 271-678-5 | CAS number: 68603-87-2
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in sediment species: invertebrate
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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
- Justification for type of information:
1. SOFTWARE
Estimation Program Interface (EPI) Suite
2. MODEL (incl. version number)
BCFBAF v3.01 included in EPI-Suite v 4.11, 2000 – 2012
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
A SMILES notation (OC(=O)CCCCC(=O)O) was entered in the initial data entry screen.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLICABILITY DOMAIN
a. Domains:
i. log Kow: With a log Kow value of 0.09, the substance is within the range of the training set (Non-Ionics: -1.37 – 11.26/ Ionics: -6.50 – 7.86).
Molecular weight: With a molecular weight of 146.14 g/mol the substance is within the range of the training set (Non-Ionics 68.08 – 959.17/ Ionics 102.13 – 991.80).
ii. Structural fragment domain: Not applicable as the BCF is not estimated on the basis of fragments.
iii. Mechanism domain: No information available.
iv. Metabolic domain, if relevant: Not relevant.
b. Structural analogues: Not relevant as the BCF is not estimated based on structural fragments.
c. Considerations on structural analogues: Not relevant.
3.4 The uncertainty of the prediction (OECD principle 4)
The rules applied for estimating the BCF of adipic acid appear appropriate. An individual uncertainty for the investigated substance is not available.
b) Structural analogues: no information available
c) Considerations on structural analogues: no information available
The uncertainty of the prediction (OECD principle 4)
Adipic acid is not highly complex and the rules applied for the substance appear appropriate. An individual uncertainty for the investigated substance is not available.
5. ADEQUACY OF THE RESULT
Regulatory purpose:
Regulatory purpose: The data may be used for regulatory purpose.
Approach for regulatory interpretation of the model result: If no experimental data are available, the estimated value may be used to fill data gaps needed for hazard and risk assessment.
Outcome: The estimation of the bioconcentration factor (BCF) yields a useful result for further evaluation.
Conclusion: The result is considered as useful for regulatory purposes.- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- Calculated with BCFBAF v3.01 included in EPI-Suite v 4.11, 2000 – 2012.
- GLP compliance:
- no
- Remarks:
- An Accepted calculation method (BCFBAF v3.01 included in EPI-Suite v 4.11, 2000 – 2012) was employed for this endpoint. GLP compliance is not necessary for validated in-silico methods.
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
PHYSICO-CHEMICAL PROPERTIES
- Vapour pressure: 0.097 hPa at 18.5°C (Kirk-Othmer)
- Water solubility: 23 g/L at 25°C (MITI, 1992)
- Henry's Law constant: 9,656e-9 hPa m³/mol 25°C (Currenta, 2009)
- log Pow: 0.093 at pH 3.3 (BASF-Study, 1988)
- pKa: 4.34-5.44 at 18°C; 4.43-5.42 at 20°C; 4.43 at 25°C (Beilstein, 2003)
OTHER PROPERTIES
- Ready biodegradability: 83 % on 30 days (Gerike, 1979)
- Acute toxicity to fish: Danio rerio, 96 h LC0 >=1000 mg/l - Test organisms (species):
- other: none, estimated by calculation
- Type:
- BCF
- Value:
- 3.16 L/kg
- Basis:
- other: log Kow
- Conclusions:
- Based on the standard formula for ionic compounds having a log Kow lower than 5, a BCF of 3.16 L/kg wwt is estimated.
- Executive summary:
Based on the standard formula for ionic compounds having a log Kow lower than 5, a BCF of 3.16 L/kg wwt is estimated, using BCFBAF v3.01 included in EPI-Suite v 4.11, 2000 – 2012.
Reference
For adipic acid the ionic character of the substance is considered by the program and the standard fromula is applied: ionic compounds are predicted as follows: log BCF = 0.50 (log Kow <5). The log Kow of 0.093 for adipic acid is taken into account.
Description of key information
Based on the standard formula for ionic compounds having a log Kow lower than 5, a BCF of 3.16 is estimated (Currenta, 2019).
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.16 L/kg ww
Additional information
Measured bioconcentration factors (BCF) obtained in bioaccumulation studies for the mixture of dicarboxylic acids are not available.
However, a bioaccumulation potential for dicarboxylic acids is assessed from the octanol-water partition coefficient of the constituent adipic acid. Based on the standard formula for ionic compounds having a log Kow lower than 5, a BCF of 3.16 L/kg wwt is estimated (Currenta, 2019). This value indicates that there is no potential for bioaccumulation of adipic acid in aquatic organisms.
As first, the logKow of the other constituents are also below 5, and second, the components have an ionic character the same formula will be applied to estimate a BCF for succinic and glutaric acid, resulting in the same value.
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.