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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 229-551-7 | CAS number: 6606-59-3
- 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
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Based on acceptable computer model. Accepted calculation method.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
- Principles of method if other than guideline:
- BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(OCCCCCCOC(=O)C(=C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 1,6-hexanediyl ester
MOL FOR: C14 H22 O4
MOL WT : 254.33
Experimental logP used: 4.08 - GLP compliance:
- no
Test material
- Reference substance name:
- 1,6-hexanediyl bismethacrylate
- EC Number:
- 229-551-7
- EC Name:
- 1,6-hexanediyl bismethacrylate
- Cas Number:
- 6606-59-3
- Molecular formula:
- C14H22O4
- IUPAC Name:
- 6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate
Constituent 1
Results and discussion
- Details on results:
- QSAR prediction includingt biotransformation/metabolism of the target molecule: Estimated Log BCF (upper/mid trophic) 1.220 - 1.346 (BCF = 16.58 - 22.19 L/kg wet-wt)
Any other information on results incl. tables
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.36 (BCF = 229 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0375 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.22 (BAF = 16.6 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.08 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.359 (BCF = 228.6 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Ester [-C(=O)-O-C] | -0.7605 | -1.5211
Frag | 2 | Methyl [-CH3] | 0.2451 | 0.4902
Frag | 6 | -CH2- [linear] | 0.0242 | 0.1451
Frag | 4 | -C=CH [alkenyl hydrogen] | 0.0988 | 0.3954
Frag | 4 | -C=CH [alkenyl hydrogen] | 0.0000 | 0.0000
L Kow| * | Log Kow = 4.08 (user-entered ) | 0.3073 | 1.2540
MolWt| * | Molecular Weight Parameter | | -0.6522
Const| * | Equation Constant | | -1.5058
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | -1.4256
RESULT | Bio Half-Life (days) | | 0.03753
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 18.47 /day (10 gram fish)
kM (Rate Constant): 10.39 /day (100 gram fish)
kM (Rate Constant): 5.841 /day (1 kg fish)
kM (Rate Constant): 3.284 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 1.220 (BCF = 16.58 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 1.220 (BAF = 16.58 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 1.346 (BCF = 22.19 L/kg wet-wt)
Applicant's summary and conclusion
- Executive summary:
The default calculation based on the logP value (not considering biotransformation/metabolism) estimates a logBCF of 2.359 (BCF = 228.6 L/kg wet-wt)
The QSAR model performs a second calculation which also takes into account biotransformation/metabolism of the target molecule. In the case of 1,6-HDDMA, where rapid metabolism can be predicted (ready biodegradability, metabolism see section toxicokinetics and metabolism) the predictions including biotransformation are more likely: Estimated Log BCF (upper/mid trophic) 1.220 - 1.346 (BCF = 16.58 - 22.19 L/kg wet-wt)
Based on this prediction, 1,6 HDDMA does not possess a significant bioaccumulation potential.
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.