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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 269-133-1 | CAS number: 68187-89-3
- 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)
Description of key information
Parent compounds and corresponding acids: Significant accumulation in organisms is not expected.
However, the assessment of the bioaccumulation potential of the parent compound may be of low relevance due to the rapid hydrolysis of the acid chloride in aqueous solutions.
Key value for chemical safety assessment
Additional information
A study is not required for this tonnage band.
Acid chlorides, coco
The substance is a mixture of the following components which hydrolyse rapidly in water to form HCl (CAS 7647-01-0) and the corresponding acid.
1) Lauroyl
chloride (CAS 112-16-3): >=30 to <=70%
(hydrolysis product: lauric acid, CAS 143-07-7)
2)
Tetradecanoyl choride (myristoyl chloride; CAS 112-64-1): >=10 to <=30%
(hydrolysis product: myristic acid, CAS 544-63-8)
3)
Palmitoyl chloride (CAS 112-67-4): >=1 to <=20%
(hydrolysis product: palmitic acid, CAS 57-10-3)
4) Decanoyl chloride (CAS 112-13-0): >=1 to <=15%
(hydrolysis product: decanoic acid, CAS 334-48-5)
5) Stearoyl chloride (CAS 112-76-5): >=1 to <=15%
(hydrolysis product: stearic acid, CAS 57-11-4)
6) Octanoyl chloride (CAS 111-64-8): <=1 to <=10%
(hydrolysis product: octanoic acid, CAS 124-07-2)
The assessment of the bioaccumulation potential of the parent substances may be of low relevance due to the rapid hydrolysis of the acid chlorides in aqueous solution, therefore the assessment is mainly based on the corresponding acids as their hydrolysis products.
Experimental data are available only for the structurally similar substance sodium laurate (CAS 629 -25 -4). In a study similar to OECD 305E using Danio rerio as test organism, the BCF was determined to be 252 ± 19 L/kg (conc. 2.0 to 3.6 mg/L, nominal; Van Egmond et al., 1999; also cited in ECHA, 2012). The study was selected as key study although some deficiencies were detected (e.g., steady state only assumed based on log Kow, sampling of fish only at end of exposure, depuration phase not studied).
In addition QSAR estimates were calculated with 5 models for each of the hydrolysis compounds. The following models were used to estimate the BCF:
1) BCFBAF: EPI Suite v4.01, BCFBAF v3.10
2) Catalogic: OASIS Catalogic v5.11.6TB, BCF baseline model v.02.05 (listed results were calculated taking mitigating factors such as size, metabolism and the substance type (acids) into consideration)
3) TEST: US EPA T.E.S.T. v4.1
4) VEGA: CAESAR v2.1.8 (http://vega-qsar.eu)
5) UBA: Müller & Nendza (2011). Comparative analysis of estimated and measured BCF data (OECD 305). Umweltbundesamt-Texte 15, pp.
Only valid data were taken into consideration if information on the applicability domain was given. The following table gives an overview on the estimated data.
Hydrolysis product |
CAS no. |
Estimated BCF |
||||
BCFBAF |
Catalogic |
TEST |
VEGA |
UBA |
||
Octanoic acid |
124-07-2 |
3.16 |
6 |
11 |
7 |
24 |
Decanoic acid |
334-48-5 |
3.16 |
12 |
21.59 |
125 |
3 - 129 |
Lauric acid |
143-07-7 |
3.16 |
34 |
23.33 |
410 |
27 - 684 |
Myristic acid |
544-63-8 |
56.2 |
109 |
38.72 |
491 |
136 - 5082 |
Palmitic acid |
57-10-3 |
56.2 |
99 |
29.05 |
330 |
461 - 49147 |
Stearic acid |
57-11-4 |
10 |
29 |
12.02 |
58 |
1558 - 427805 |
The BCF data from the UBA models which is based on the log Kow only shows a wide range given for each substance. The BCF estimated by BCFBAF, Catalogic, TEST and VEGA show a good agreement, with a tendency to higher BCFs by the VEGA model. The high BCF values resulting from the UBA model should not be considered since mitigating factors like metabolism and substance type were ignored. The effect of these mitigating factors was shown to have a great effect using the Catalogic BCF baseline model where metabolism, substance type and molecular size were most effective.
In a weight of evidence approach using the available experimental and QSAR data, it can be concluded that the substance does not significantly accumulate in organisms (BCF < 500).
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.