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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 253-149-0 | CAS number: 36653-82-4
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- The value was predicted using a validated (Q)SAR
- Justification for type of information:
- Please refer to attached justification documents
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The result is not an experimental study but rather a calculation which follows the principles in the TGD guidance and which are presented in the publication Fisk et al. (2009).
- GLP compliance:
- no
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- other: calculated
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- as indicated by OECD guidance
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 0.01 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- mobility
- Remarks on result:
- other: calculated EC50, QSAR, 48 h based on OECD guideline requirements
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- A reliable 48 h EC50 value of >100 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is >0.01 mg/L.
Reference
Predicted to be non-toxic at the limit of solubility (0.01 mg/L)
Description of key information
Short-term toxicity to aquatic invertebrates: Key: 48 h EC50 >0.024 mg/l (non-toxic at the limit of solubility) calculated by a validated QSAR.
Key value for chemical safety assessment
Additional information
No measured data are available for short-term toxicity to aquatic invertebrates.
This endpoint has been calculated based on a validated reliable QSAR method. Hexadecan-1-ol has been predicted to be non toxic at the limit of solubility, therefore the EC50 is >0.024 mg/L.
Data across the alcohols category group show that alcohols with a carbon chain length greater than C14 are expected to be non-toxic at the solubility limit during short-term tests.
A 48 hour EC50 has been calculated from a 21-d Daphnia reproduction test with pentadecan-1-ol (C15, CAS 629-76-5). This determines a value of 0.063 mg/l for effects of C15 on mobility of Daphnia magna, and supports the conclusion that hexadecan-1-ol (C16) is non-toxic at the limit of solubility.
Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:
Linear LCAAs
The data presented in the table below show the toxicity of the linear LCAAs to increase from an EC50 of 200 mg/L for C6 to 0.77 mg/L for C12. Effects have also been observed in tests with C13 and C14 LCAAs but at concentrations that exceeded the solubility of the alcohols. Although not explicitly identified in the test reports, physical effects (rather than true toxicity) cannot therefore be excluded from the interpretation of the results for these two LCAAs. In the Unilever (1994) study with C14 the authors have recorded that the test substance adhered to the daphnids at concentrations higher than the water solubility of 1-tetradecanol. This indicates that physical fouling is likely to have caused the effects seen at the EC50 value of 4 mg/L.
The lowest reliable short-term EC/LC50 values for invertebrates exposed to linear LCAAs are presented in the following table.
Table: Key studies for invertebrate short-term toxicity studies on single carbon chain length linear LCAAs.
CAS # |
Chemical name |
Comment |
Water solubility (mg/L) |
Species |
Method/ Guideline |
Exposure regime |
Endpoint |
Value (mg/L)1 |
Reliability code |
Reference |
111-27-3 |
1-Hexanol |
|
5900 at 20°C |
Daphnia magna |
Not specified |
Static |
24 h EC50 |
200 (n) |
2 |
Bringmann and Kuhn, 1982 |
111-70-6 |
1-Heptanol |
SUPPORTING |
1300 at 20°C |
D. magna |
Not specified |
Static |
24 h EC50 |
82 (n) |
2 |
Bringmann and Kuhn, 1982 |
111-87-5 |
1-Octanol |
|
550 at 25°C |
D. magna |
Not specified |
Static |
24 h EC50 |
20 (n) |
2 |
Bringmann and Kuhn, 1982 |
143-08-8 |
1-Nonanol |
|
130 at 20°C |
Nitocra spinipes (brackish) |
Not specified |
Static |
96 h EC50 |
25 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
112-30-1 |
1-Decanol |
|
40 mg/L at 20°C |
N. spinipes (brackish) |
Not specified |
Static |
96 h EC50 |
3.1 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
68516-18-7 |
Decene, hydroformylation products |
Supporting.hydroformylation product (=C11) |
No data |
D. magna |
EPA 1975 |
Static |
48 h LC50 |
4.2 (n) |
2 |
Burgess and Forbis, 1983b |
112-42-5 |
1-Undecanol |
|
8.0 at 20°C |
N.spinipes (brackish) |
Not specified |
Static |
96 h LC50 |
0.8-1.1 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
112-53-8 |
1-Dodecanol |
|
1.9 at 20°C |
D. magna |
DIN 38412 |
Static |
48 h EC50 |
0.77 (n) |
2 |
Laboratory of Pharmacology and Toxicology, 1997 |
112-70-9 |
1-Tridecanol |
SUPPORTING |
0.38 at 20°C |
D. magna |
Not specified |
Not specified |
EC50 (duration unknown) |
0.51 (>LoS) |
4 |
Unilever, 1995 |
112-72-1 |
1-Tetradecanol |
|
0.19 at 25°C |
D. magna |
Not specified |
Not specified |
48 h EC50 |
3.2 (>LoS) |
2 |
Unilever, 2010 |
Notes:
1>LoS: LC50 observed was greater than the limit of solubility (n) based on nominal concentrations, (m) based on measured concentrations.
SUPPORTING denotes that the substance is not for registration but the data are used to support the category
Multi-constituents LCAAs
The data presented in the table below show the multi-constituent substances containing LCAAs with carbon numbers in the ranges of C7-9 to C12-15 to exert short-term toxicity at concentrations of between 0.23 and 30 mg/L. At these concentrations it is likely that all constituents will have been fully dissolved. The short-term EC50 of the C14-15 LCAAs to aquatic invertebrate was determined to be above the limit of solubility of the substance.
For the C12-14 and C12-18 multi-constituent substances there was evidence of toxic effects in tests conducted on test media prepared as water-accommodated fractions at loading rates that exceeded the solubility of some constituents. For the C16-18 substance there was evidence of effects in test media that could have contained undissolved test material. The possibility of physical effects (rather than true toxicity) contributing to the observed effects were not discussed in the test report but cannot be excluded.
The lowest reliable short-term EC/LC50 values for invertebrates exposed to multi-constituent LCAAs are presented in the following table.
Table: Invertebrate short-term toxicity studies on mixed carbon chain length (multi-constituent) LCAAs (species are freshwater unless noted otherwise).
CAS # |
Chemical name |
Comment |
Water solubility (mg/L) |
Species |
Method/ Guideline2 |
Exposure regime |
Endpoint |
Value (mg/L)3 |
Reliability code |
Reference |
|
|
Alcohols, C7-9 |
|
510 mg/L at a loading rate of 1000 mg/L (estimated) |
Daphnia magna |
OECD 202 |
Semi-static |
48 h EC50 |
5.9 |
1 |
Fraunhofer Institute, 2005e |
|
Mixture of 68527-05-9 and 70955-11-2- |
Mixture of hexane and octene hydroformylation products |
i.e. alcohols, C7-9 |
No data |
D. magna |
EPA 1975 |
Static |
48 h LC50 |
30 (n) |
2 |
Burgess and Forbis, 1983c |
|
68515-81-1 |
Nonanol, branched and linear |
Read-across from C9 |
121 (estimated) |
Nitocra spinipes (brackish) |
Not specified |
Static |
96 h EC50 |
25 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
|
|
Alcohols, C9-11- branched and linear |
Also valid for Alcohols, C9-11 CAS 66455-17-2 |
44 at a loading rate of 1000 mg/L. (estimated) |
D. magna |
Not specified |
Static |
48 h EC50 |
7 (n) |
2 |
Shell Research Limited, 1983 |
|
|
Alcohols, C9-11- branched and linear |
Also valid for Alcohols, C9-11 CAS 66455-17-2 |
44 at a loading rate of 1000 mg/L. (estimated) |
Crangon crangon (marine) |
UK MAFF |
Semi-static |
96 h LC50 |
4.6 (n) |
2 |
Huntingdon Life Sciences Ltd. 1991a. |
|
|
Alcohols, C9-11 (odd numbered), branched and linear |
|
26.04 at 20°C |
Daphnia magna |
|
Semi-static |
48 h LD50 |
0.39 (m) |
1 |
Hydrotox, 2017 |
|
Mixture of 68516-18-7, 68527-05-9 and 70955-11-2- |
Mixture of octane and decene hydroformylation products |
SUPPORTING |
No data |
D. magna |
EPA 1975 |
Static |
48 h LC50 |
11 (n) |
2 |
Burgess and Forbis, 1983d |
|
90342-32-8 |
Decanol, branched and linear |
Read-across from C10 |
26.17 at 20°C |
N. spinipes (brackish) |
Not specified |
Static |
96 h EC50 |
3.1 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
|
128973-77-3 |
Undecanol, branched and linear
Reaction mass of 2-methyldecan-1-ol and 2-propyloctan-1-ol and 2-ethylnonan-1-ol and 2-butylheptan-1-ol |
Read-across from C11 |
6.3 at 25°C |
N. spinipes (brackish) |
Not specified |
Static |
96 h LC50 |
0.8-1.1 (n) |
2 |
Bengtsson, Renberg, and Tarkpea, 1984 |
|
740817-83-8 |
Alcohols, C12-13-branched and linear |
|
2.4 at 25oC |
D. magna |
OECD 202 WAF |
Static |
48 h EL50 |
0.23(n) |
1 |
Shell, 2000a |
|
75782-87-5 |
Alcohols, C12-13 |
|
2.4 at 25oC |
C. crangon (marine) |
UK MAFF |
Semi-static |
96 h LC50 |
>10 (n) (>LoS) |
2 |
Huntingdon Life Sciences Ltd. 1991b. |
|
740817-83-8 |
Alcohols, C12-13-branched and linear |
|
2.9-3.1 at 20°C |
D. magna |
OECD 202 WAF |
Static |
48 h EL50 |
2.8 (n) |
1 |
TNO, 2000b |
|
80206-82-2 |
Alcohols, C 12-14 |
Type A |
4.6 predicted at 1000 mg/L loading rate |
D. magna |
EU 92/69/EWG WAF |
Static |
48 h EL50 |
63 (n) (>LoS) |
1 |
Henkel, 1998b |
|
90604-40-3 |
Alcohols, C12-15-branched and linear |
|
0.80 at 20°C |
D. magna |
OECD 202 WAF |
Static |
48 h EL50 |
<1.0 |
1 |
Shell, 2001a |
|
67762-25-8 |
Alcohols, C 12-18 |
Type A |
1.7 predicted at 100 mg/L loading rate |
D. magna |
EU 92/69/EWG |
Static |
48 h EL50 |
40 (n) (>LoS) |
1 |
Henkel, 1998a |
|
68002-94-8 |
Alcohols, C 16-18 and 18 Unsaturated |
SUPPORTING |
0.044 predicted at 1000 mg/L loading rate |
D. magna |
EU Guideline 92/69/EWG |
Static |
48 h EC50 |
70 (n) (>LoS) |
2 |
Henkel KGaA. 1995. |
Notes:
1Compositional Types are described in section 1.4.7 of the category report.
2WAF denotes test medium was a water-accommodated fraction
3>LoS: EC50 observed was greater than the limit of solubility of at least some constituents of the substance. (n) based on nominal concentrations, (m) based on measured concentrations.
SUPPORTING denotes that the substance is not for registration but the data are used to support the category
n/a denotes not applicable
The data for nonanol, branched and linear, decanol branched and linear, decanol branched and undecanol branched and reaction mass of 2-methyldecan-1-ol and 2-propyloctan-1-ol and 2-ethylnonan-1-ol and 2-butylheptan-1-ol alcohols have been read-across from their linear LCAAs counterparts (C9, C10 and C11) since they are essentially linear LCAAs.
The measured data do not permit a definite toxicity cut-off to be identified for the single carbon number LCAAs or the multi-constituent substances. This is because the potential for physical effects to contribute to the results obtained for the C13 and 14 single carbon number alcohols, and the multi-constituent substances containing constituents with carbon numbers that are all >C12, cannot be excluded. However, it is reasonable to conclude from the data that are presented that it is unlikely that linear LCAAs with carbon numbers >C13 and multi-constituent LCAAs with carbon numbers all >C13 would be toxic.
References
Bengtsson, B., Renberg, L., and Tarkpea, M. (1984). Molecular structure and aquatic toxicity-An example with C1-C13 aliphatic alcohols. Chemosphere 13(5/6):613-622.
Bringmann, V. and Kuhn, R.1982. Results of toxic action of water pollutants on Daphnia magna Straus tested by an improved standardized procedure. Z. Wasser Abwasser Forsch. 15(1):1-6.
Burgess, D. and Forbis, A.D. 1983b. Acute toxicity of oxo alcohol 1100 to Daphnia magna. Static acute bioassay report 30851.
Burgess, D. and Forbis, A.D. 1983d. Acute toxicity of oxo alcohol 7911 to Daphnia magna. Static acute bioassay report 30848.
Burgess, D. and Forbis, A.D. 1983c. Acute toxicity of oxo alcohol 7900 to Daphnia magna. Static acute bioassay report 30845.
Fraunhofer Institute, 2005a, Daphnia, acute immobilization, Linevol 79. Study SDA-04/4-20, Fraunhofer Institute.
Henkel, 1998a. Henkel Report No. R9800103.
Henkel,1998b. Henkel KGaA Report No. R9800104.
Henkel KGaA., 1995. Report No. 9400262. May 1995.
Huntingdon Life Sciences Ltd.(HLS).1991a. Report No. SLL 207(a)/91714.
Huntingdon Life Sciences Ltd.(HLS).1991b. Report No. SLL 207(b)/91602.
Laboratory of Pharmacology and Toxicology. 1997. Examination of 1-Dodecanol in an acute immobilization test in Daphnia magna. LPT Report No. 10762/97.
Shell, 2000a. Shell. RTS Report No. CT.00.47050.
Shell, 2001a. Shell. RTS Report No. OG.01.49011.
Shell Research Limited, 1983. Toxicity tests with Daphnia magna: Acute toxicity of eight test materials to a newly-introduced strain of D. magna in reconstituted fresh water. Shell Research Limited, Sittingbourne Research Centre. SBGR.83.100.
TNO Nutrition and Food Research Institute. 2000b. Static acute toxicity test with compound 33A abd the crustacean species Daphnia magna. TNO report V98.1320.
Unilever, 1995. Acute toxicity of 1-tetradecanol to Daphnia magna. Unilever. Study AT/ALC/BK4.
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.