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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 279-420-3 | CAS number: 80206-82-2
- 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
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish life cycle toxicity
- Type of information:
- (Q)SAR
- 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:
- QSAR prediction:US EPA accepted QSAR method for chemicals properties assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- ECOSAR Program (v1.00)
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish species
- Details on test organisms:
- no further information
- Test type:
- other: QSAR model
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 30 d
- Hardness:
- not applicable. QSAR model
- Test temperature:
- not applicable. QSAR model
- pH:
- not applicable. QSAR model
- Dissolved oxygen:
- not applicable. QSAR model
- Salinity:
- not applicable. QSAR model
- Details on test conditions:
- CAS Number:80206-82-2
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C12 H26 O1
MOL WT : 186.34
Log Kow: 4.77 (KowWin estimate)
Wat Sol: 4 mg/L (experimental database) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.066 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: (Q)SAR prediction
- Remarks on result:
- other: non-toxic at the limit of solubility, as determined by (Q)SAR
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 16.5 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: (Q)SAR prediction
- Remarks on result:
- other: Predicted, at water solubility loading rates of 1000 mg/L
- Details on results:
- A NOEC value of 0.066 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 16.5 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.066 mg/L. Predicted to be non-toxic at the limit of solubility.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance. - Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- A NOEC value of 0.066 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 16.5 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.066 mg/L. Predicted to be non-toxic at the limit of solubility. - Executive summary:
The ECOSAR QSAR model predicts that the NOEC for freshwater fish would to be 0.066 mg/l .This result signifies that the test substance is not expected to be toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.
- Endpoint:
- fish life cycle toxicity
- Type of information:
- (Q)SAR
- 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:
- QSAR prediction: US EPA accepted QSAR method for chemicals properties assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- ECOSAR Program (v1.00)
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish species
- Details on test organisms:
- no further information
- Test type:
- other: QSAR model
- Water media type:
- saltwater
- Limit test:
- no
- Total exposure duration:
- 30 d
- Hardness:
- not applicable. QSAR model
- Test temperature:
- not applicable. QSAR model
- pH:
- not applicable. QSAR model
- Dissolved oxygen:
- not applicable. QSAR model
- Salinity:
- not applicable. QSAR model
- Details on test conditions:
- CAS Number:80206-82-2
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C12 H26 O1
MOL WT : 186.34
Log Kow: 4.77 (KowWin estimate)
Wat Sol: 4 mg/L (experimental database) - Reference substance (positive control):
- no
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.376 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: (Q)SAR prediction
- Remarks on result:
- other: non-toxic at the limit of solubility, as determined by (Q)SAR
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 94 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: (Q)SAR prediction
- Remarks on result:
- other: Predicted, at water solubility loading rates of 1000 mg/L
- Details on results:
- A NOEC value of 0.376 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 94 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.376 mg/L. Predicted to be non-toxic at the limit of solubility.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance. - Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- A NOEC value of 0.376 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 94 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.376 mg/L. Predicted to be non-toxic at the limit of solubility. - Executive summary:
The ECOSAR QSAR model predicts that the NOEC for marinewater fish would to be 0.376 mg/l .This result signifies that the test substance is not expected to be toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 94 times the water solubility of the test substance.
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- other: published data
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- EPA OTS 797.1000 (Fish Early-life Stage Toxicity Test)
- Deviations:
- yes
- Remarks:
- duration of test only 7 days, test solution volume reduced to 250 ml/replicate; number of replicate chambers per concentration increased to 4, number of larvae/chamber increased to 15, maximum number of larvae per concentration increased to 60.
- GLP compliance:
- not specified
- Analytical monitoring:
- yes
- Details on sampling:
- - Concentrations: 11.9, 6.0 and 3.0 mg/L
- Sampling method: 3 grab samples were taken from initial test solution and 3 from the final test solution in the highest concentration and 0.75, 3.0 and 6.0 mg/L.
- Sample storage conditions before analysis: stored at 4 degC. - Vehicle:
- no
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION
- Method: 7 L of the high test concentration were prepared using 100 ul of 1-octanol (11.9 mg). The solution was then mixed by shaking for 10 min. - Test organisms (species):
- Pimephales promelas
- Details on test organisms:
- TEST ORGANISM
- Common name: fathead minnow
- Source: Fathead minnow culture unit at the EPA Newtown Facility.
METHOD FOR PREPARATION AND COLLECTION OF FERTILIZED EGGS
- Numbers of parental fish: the embryos were delivered to the testing facility on spawning tiles.
- Method of collection of fertilised eggs: tiles were transferred to hatching trays containing airstones.
- Subsequent handling of eggs: after 12 hrs the tiles and unhatched embryos were removed. Larvae hatched within this 12 hour period were pooled. This procedure was times so to obtain 1, 4 and 7 day larvae.
POST-HATCH FEEDING
- Start date: First day.
- Type/source of feed: concentrated brine shrimp nauplii.
- Amount given: 3 drops of shrimp once a day.
- Frequency of feeding: The larvae were fed once on the first day, twice daily on days 1 to 6 and not fed on the last day. - Test type:
- flow-through
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 7 d
- Hardness:
- 86-94 mg/L as CaCO3 at the beginning of the test
- Test temperature:
- 25 ± 1 ºC
- pH:
- average: 7.5
- Dissolved oxygen:
- average: 6.0 mg/L (4.4 to 7.2 mg/L)
- Salinity:
- N.A.
- Nominal and measured concentrations:
- Nominal: 0.75, 1.5, 3.0, 6.0 and 11.9 mg/L
Measured: The initial measured concentration of the highest concentration was 113% of the nominal value (13.4 mg/L). The final measured concentration of the high concentration (11.9 mg/L) was 1.3 mg/L at the end of the test. See table 1 for details. - Details on test conditions:
- TEST SYSTEM
- Test vessel: beakers
- Material, size, headspace, fill volume: 600 ml borosilicate glass beakers filled with 250 ml test solution
- No. of fertilized eggs/embryos per vessel: 10 larvae per vessel
- No. of vessels per concentration: 4
- No. of vessels per control: 4
- Biomass loading rate:
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: Prepared with reagent grade chemicals added to a carbon-filtered, deionised Cincinnati tap water that was treated in a Millipore Milli-Q system, aerated vigorously for approx. 24 hours before usage
- Alkalinity: 56 - 64 mg/L as CaCO3
- Intervals of water quality measurement: daily
EFFECT PARAMETERS MEASURED: survival - daily; growth - end of test.
RANGE-FINDING STUDY
- Test concentrations: dilution factor of 0.5 in definitive study - Reference substance (positive control):
- no
- Duration:
- 7 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.5 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: survival
- Duration:
- 7 d
- Dose descriptor:
- LOEC
- Effect conc.:
- 3 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: survival
- Duration:
- 7 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.5 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Duration:
- 7 d
- Dose descriptor:
- LOEC
- Effect conc.:
- 6 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Details on results:
- - Mortality of control: Three side by side exposures were conducted with 1-octanol; survival of 1-d control larvae in the first set was only 78%, which is less than the acceptable criteria of 80% or greater control survival. However, the 1-d larvae test was analysed by declaring one of the replicates an outlier because only 1 larvae of 10 survived, while survival was 100% in the other three control replicates.
See table 1 for details on results. - Reported statistics and error estimates:
- Dunett's test to analyse deviations from normality or homogeneity of variance; Boniferroni's test was used to analyse the control as a an outlier; Steel's many-one rank test was used if data has significant deviations from normality or homogeneity. The EPA fathead minnow program, v 1.2, was used to determine NOEC and LOEC on biomass and survival.
- Validity criteria fulfilled:
- yes
- Conclusions:
- 7 day NOEC values equivalent to 1.5 mg/L were determined for the effects of the test substance on survival and growth of the larvae of freshwater fish Pimephales promelas.
- Executive summary:
A NOEC of between 0.75 and 3.0 mg/L has been determined for growth reduction in a 7-day test with larval Fathead minnows (Pimephales promelas). The result is expressed relative to nominal exposure concentrations and it is significant to note that measured concentrations declined by >90% over the period between media renewals (not specified in the source document). The true toxicity is therefore likely to have been greater than that expressed due to the observed loss of test substance concentration in the old media. The duration of this test is too short for it to be considered a true chronic study.
Referenceopen allclose all
Overview of QSARs estimations onlong-term aquatic toxicity of Alcohols, C12-14 to fish
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Fish, 96-hr LC50 =0.525 mg/L (ppm) Fish, 96-hr (SW) LC50 =0.591mg/L (ppm) Fish 30-day ChV = 0.066 mg/L (ppm) Fish (SW) 30-day ChV = 0.376mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Fish, 96-hr LC50 =0.525 mg/L (ppm)
Fish, 96-hr (SW) LC50 =0.591mg/L (ppm)
Fish 30-day ChV = 0.066 mg/L (ppm)
Fish (SW) 30-day ChV = 0.376 mg/L (ppm)
Fish 14-day LC50 = 0.555 mg/L (ppm)
Overview of QSARs estimations onlong-term aquatic toxicity of Alcohols, C12-14 to fish
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Fish, 96-hr LC50 =0.525 mg/L (ppm) Fish, 96-hr (SW) LC50 =0.591mg/L (ppm) Fish 30-day ChV = 0.066 mg/L (ppm) Fish (SW) 30-day ChV = 0.376 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Fish, 96-hr LC50 =0.525 mg/L (ppm)
Fish, 96-hr (SW) LC50 =0.591mg/L (ppm)
Fish 30-day ChV = 0.066 mg/L (ppm)
Fish (SW) 30-day ChV = 0.376 mg/L (ppm)
Fish 14-day LC50 = 0.555 mg/L (ppm)
Table 1. Result of the three side-by-side tests using 1 d old larvae; (n=3 in control, n=4 in exposure vessels).
Test # |
Survival (mg/L) |
Growth (mg/L) |
||
|
NOEC |
LOEC |
NOEC |
LOEC |
1 |
6.0 |
11.9 |
3.0 |
6.0 |
2 |
1.5 |
3.0 |
1.5 |
ND |
3 |
6.0 |
11.9 |
3.0 |
6.0 |
The lowest NOEC and LOEC are used to determine the toxicity of the test substance to fish larvae.
Table 2. Nominal and measured concentrations (average over 3 tests), analysed via GC-MS.
Nominal concentration (mg/L) |
Measured concentration - initial (mg/L) |
Measured concentration - final (mg/L) |
0.0 |
- |
- |
0.75 |
- |
0.0 |
1.5 |
- |
- |
3.0 |
- |
0.0 |
6.0 |
- |
0.075 |
11.9 |
11.4 |
1.3 |
The three grab samples of the initial nominal high test concentration of 11.9 mg/L were measured and the mean values was 96% of the nominal value, corresponding to 11.4 mg/L. Three grab samples taken of the final test solution at the highest concentration (11.9 mg/L) was 1.3 mg/L.
Measured concentrations of grab samples of final test concentration at 6.0 mg/L was 0.05 and 0.09 mg/L. 1 -Octanol was not detected at nominal concentrations of 3.0, 0.75 mg/L and in the control.
Description of key information
A NOEC value of 0.066 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 16.5 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.066 mg/L. Predicted to be non-toxic at the limit of solubility.
A reliable NOEC value of 94 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.376 mg/L. Predicted to be non-toxic at the limit of solubility.
The ECOSAR QSAR model predicts that the NOEC for marinewater fish would to be 0.376 mg/l .This result signifies that the test substance is not expected to be toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 16.5 mg/L
Marine water fish
Marine water fish
- Effect concentration:
- 94 mg/L
Additional information
A NOEC value of 0.066 mg/L has been calculated for the effects of the test substance on the mortality of the fish taxonomic group. This result signifies that the test substance is not expected to be toxic at the limit of solubility. This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
A reliable NOEC value of 16.5 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.066 mg/L. Predicted to be non-toxic at the limit of solubility.
A reliable NOEC value of 94 mg/L has been calculated for the effects of the test substance towards fish taxonomic group. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.376 mg/L. Predicted to be non-toxic at the limit of solubility.
The ECOSAR QSAR model predicts that the NOEC for marinewater fish would to be 0.376 mg/l .This result signifies that the test substance is not expected to be toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and NOEC is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.
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.