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EC number: 855-780-2 | CAS number: 3710-31-4
- 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 aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
Substances whose physicochemical, toxicological and ecotoxicological properties are likely to be similar as a result of structural similarity may be considered as analogue substances. In this case, experimental data of one substance may provide indications for specific physico-chemical properties and the (eco-) toxicological profile of another, based on a read-across approach (ECHA (2012); ECHA (2013), ECHA (2017a)).
In the present situation an “analogue approach” has been chosen because the target and the source substance are structurally similar substances. The target substance is a mono-constituent substance consisting of a linear C7 chain and two hydroxyl groups. The source substance hexane-1,2-diol consists of a linear C6 chain with two hydroxyl groups at the same positions. The molecules only differ by one methylene group in the terminal C chain.
Hence, target and source substances share same chemical structures and functional groups. For the REACH information requirement under consideration, the effects obtained in a study conducted with the source substances are used to predict the effects that would be observed in a study with the target substance if it were to be conducted (ECHA 2017b).
This read-across is based on the hypothesis that source and target substances have the same type of toxicological effects based on common underlying mechanisms. This prediction is supported by physicochemical and (eco-)toxicological data on the substances.
Therefore, the effects of the target substance are predicted to be similar to the effects of the source substance. The exposure to target and source substances causes the same type of effects through a common mechanism.
References:
ECHA (2012) Practical guide 6: How to report read-across and categories. ECHA-10-B-11.1-EN, December 2012.
ECHA (2013) Grouping of substances and read-across approach, part 1: Introductory note. ECHA-13-R-02-EN, April 2013.
ECHA (2017a) Read-Across Assessment Framework (RAAF), Reference: ECHA-17-R-01-EN, Date: March 2017.
ECHA (2017b) Read-Across Assessment Framework (RAAF), Appendix B: Scenario 2.
2. SOURCE AND TARGET CHEMICAL
1) Target chemical
- IUPAC name: 1,2-Heptanediol
- CAS no.: 3710-31-4
- EC no.: 855-780-2
- Molecular formula: C7H16O2
- SMILES notation: CCCCCC(CO)O
- Purity: >= 99 < 100 % (w/w), typical concentration ca 99.8 % (w/w)
2) Source chemical
- IUPAC name: hexane-1,2-diol
- CAS no.: 6920-22-5
- EC no.: 230-029-6
- Molecular formula: C6 H14 O2
- SMILES notation: OCC(O)CCCC
- Purity: 99.6% (w/w)
3. ANALOGUE APPROACH JUSTIFICATION
Read-across from (eco-)toxicity studies on the source substances is considered as an appropriate adaptation to the standard information requirements of Annex VII of the REACH Regulation for the target substance, in accordance with the provisions of Annex XI, 1.5 of Regulation (EC) No 1907/2006 (REACH). - Reason / purpose for cross-reference:
- read-across source
- Duration:
- 48 h
- Dose descriptor:
- EC10
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC100
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- NOEC
- Effect conc.:
- >= 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- LOEC
- Effect conc.:
- >= 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08.08.2012-03.10.2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.2 (Acute Toxicity for Daphnia)
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Details on sampling:
- For the determination of the actual test item concentrations, duplicate samples were taken from each treatment at the start and at the end of the test (after 48 hours).
For the 48-hour stability samples, the contents of the respective replicates were combined prior to sampling.
The concentration of the test item was analytically measured in one of the duplicate test medium samples of the single test concentration taken at the start and end of the test.
From the control, one of the duplicate samples was analyzed per sampling time, too. - Vehicle:
- no
- Details on test solutions:
- The test medium was prepared by dissolving 110.2 mg of test item completely in 1000 mL of test water using ultrasonic treatment for 15 minutes and intense stirring for 15 minutes at room temperature. The test medium was prepared just before introduction of the daphnids (i.e. start of the test).
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- The study was performed with young daphnids of the species Daphnia magna Straus. A clone of this species (defined by the supplier as clone 5) was originally supplied by the University of Sheffield / UK in 1992. Since that time, the clone has been bred at Harlan Laboratories in reconstituted water of the quality identical to the water quality used in the tests (in respect to pH, main ions, and total hardness) and under temperature and light conditions identical to those of the test.
During breeding, daphnids are generally fed three times a week with an algal suspension of the green algae Desmodesmus subspicatus CHODAT, Strain No. 86.81 SAG, supplied by the Collection of Algal Cultures (SAG, Institute for Plant Physiology, University of Göttingen, 37073 Göttingen / Germany) and cultivated at Harlan Laboratories under standardized conditions or a mixture of this algal suspension and a commercial fish diet (Tetra Min®, Hauptfutter, supplied by TETRA-Werke, 49304 Melle / Germany).
For each treatment, 20 daphnids were used divided into four replicates of five daphnids each.
The volume of test solution provided for each daphnid was 10 mL. Thus, the requirement of the test guidelines for the minimum volume of 2 mL test medium per daphnid was fulfilled. The daphnids were randomly distributed to the test vessels at initiation of the test.
Test duration was 48 hours. - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- yes
- Total exposure duration:
- 48 h
- Hardness:
- Water Hardness: 2.5 mmol/L, 250 mg/L as CaCO3
- Test temperature:
- The water temperature was maintained at 20-21°C.
- pH:
- 7.8
- Dissolved oxygen:
- The test water was aerated prior to the start of the study until oxygen saturation was reached.
During the test period, the test water was not aerated.
Oxygen: 8.1 - 8.5 mg/L - Salinity:
- Reconstituted test water according to ISO 6341 [ISO, 1996] was used in the study. It consisted of analytical grade salts dissolved in purified water at the following nominal concentrations.
[mmol/L] [mg/L]
CaCl2 × 2H2O: 2.0 mmol/L , 294 mg/L
MgSO4 × 7H2O: 0.5 mmol/L, 123 mg/L
NaHCO3: 0.75 mmol/L, 65 mg/L
KCl: 0.075 mmol/L, 5.8 mg/L
Water Hardness: 2.5 mmol/L, 250 mg/L as CaCO3
Alkalinity 0.8 mmol/L - Nominal and measured concentrations:
- Based on the results of a range-finding test a limit test with the nominal concentration of 110 mg/L was carried out. The measured concentrations of the test item in the test medium were 93 and 94% of the nominal value at the start and end of the test, respectively.
- Details on test conditions:
- A 16-hour light to 8-hour dark cycle with a 30-minute transition period was used. Light intensity
during the light period was approximately between 400 and 540 Lux.
The daphnids were not fed during the test. - Reference substance (positive control):
- yes
- Remarks:
- potassium dichromate
- Duration:
- 48 h
- Dose descriptor:
- EC10
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC100
- Effect conc.:
- > 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- NOEC
- Effect conc.:
- >= 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- LOEC
- Effect conc.:
- >= 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Details on results:
- The test item had no acute toxic effects on Daphnia magna up to the nominal concentration of 110 mg/L (measured 93 to 94%) under the conditions of the test.
- Results with reference substance (positive control):
- For evaluation of the quality of the daphnia clone and the experimental conditions, potassium dichromate is tested as a positive control twice a year. The result of the latest positive control test in February 2012 (48-hour EC 50 : 0.63 mg/L, Harlan Laboratories Study D50585) showed that the sensitivity of the test organisms was within the internal historical range (48-hour EC 50 from 2000 to 2012: 0.43-1.1 mg/L).
- Validity criteria fulfilled:
- yes
- Conclusions:
- In the negative control and at the test concentration of 110 mg/L, no immobilized test organisms were observed during the test period of 48 hours. Thus, NOEC (daphnia magna, 48h) is greater or equal 110 mg/L.
- Executive summary:
In the negative control and at the test concentration of 110 mg/L, no immobilized test organisms were observed during the test period of 48 hours. Thus, NOEC (daphnia magna, 48h) is greater or equal 110 mg/L. The test is considered to be valid, as in the negative control no daphnids showed immobilization or other signs of disease or stress (e.g. discoloration or unusual behavior such as trapping at the surface water). Furthermore, the dissolved oxygen concentration at the end of the test was ≥3 mg/L in the control and test vessels.
Referenceopen allclose all
The measured concentrations of the test item in the test medium were 93 and 94% of the nominal value at the start and end of the test, respectively. Thus, the correct dosage of the test item was confirmed. The test item was stable in the test media over the test period of 48 hours. The biological results were related to the nominal concentrations of the test item.
In the control and at the test concentration of 110 mg/L, no immobilized test organisms were observed during the test period of 48 hours. Therefore, the 48-hour NOEC of the test item to Daphnia magna was determined to be at least 110 mg/L. The 48-hour NOEC might even be higher, but concentrations above 110 mg/L were not tested, in accordance with the test guidelines. The 48-hour EC 10 , EC 50 and EC 100 were clearly higher than 110 mg/L.
Description of key information
In a limit test according to OECD TG 202 with Daphnia magna the 48-hour EC50 of the read across source substance hexane-1,2-diol (CAS 3710-31-4) was determined to be > 110 mg/L (nominal). Based on this result the 48-hour EC50 of the target substance heptane-1,2-diol is considered to be > 110 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 110 mg/L
Additional information
No experimental data on the toxicity of the registration substance to aquatic invertebrates is available, but for the structural analogue substance hexane-1,2-diol. Therefore, a read across approach was applied.
Key information
The acute toxicity of the read across source substance hexane-1,2-diol was studied in a valid GLP test according to OECD TG 202. The test was performed under static conditions over a period of 48 hours. Based on the results of a range-finding test a limit test with the nominal concentration of 110 mg/L was carried out. The measured concentrations of the substance in the test medium were 93 and 94 % of the nominal value at the start and end of the test, respectively and thus the effects levels were based on the nominal concentration.In the control and at the test item concentration of 110 mg/L, no immobilized test organisms were observed during the test period of 48 hours.Thus, the test item had no acute toxic effects on Daphnia magna up to the nominal concentration of 110 mg/L under the conditions of the test (NOEC >= 110 mg/L). The 48 hour EC50 was hence determined to be > 110 mg/L.
Conclusion
In a limit test according to OECD TG 202 with Daphnia magna the 48-hour EC50 of the read across source substance hexane-1,2-diol (CAS 3710-31-4) was determined to be > 110 mg/L. By applying a read across approach the 48-hour EC50 of the target substance heptane-1,2-diol is considered to be > 110 mg/L.
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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