Registration Dossier
Registration Dossier
Diss Factsheets
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EC number: 230-241-9 | CAS number: 6976-93-8
- 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

Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2013
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EpiSuite v4.1, US EPA
2. MODEL (incl. version number)
KOCWIN v2.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(OCCOC)C(=C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment
5. APPLICABILITY DOMAIN
see attachment
6. ADEQUACY OF THE RESULT
The prediction of low adsorption potential is in line with the low log Kow. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Estimation by calculation using EPIWEB version 4.1, KOCWIN v2.00
- GLP compliance:
- no
- Type of method:
- other: Estimation by calculation
- Type:
- log Koc
- Value:
- 1.49 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: Kow method
- Type:
- log Koc
- Value:
- 0.87 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: MCI method
- Conclusions:
- The log Koc of MTMA estimated by calculation was 1.49 (Kow method) and 0.87 (MCI method) (EPIWEB v4.1, KOCWIN v2.00).
- Executive summary:
The log Koc of MTMA estimated by calculation was 1.49 (Kow method) and 0.87 (MCI method) (estimated with EPIWEB version 4.1, KOCWIN v2.00).
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : O=C(OCCOC)C(=C)C
CHEM : MTMA
MOL FOR: C7 H12 O3
MOL WT : 144.17
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.681
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.0399
Fragment Correction(s):
1 Ether, aliphatic (-C-O-C-) .......... : -0.8716
1 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -1.2970
Corrected Log Koc .................................. : 0.8713
Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000
Estimated Koc: 10 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (User entered ) ......................... : 1.30
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.6442
Fragment Correction(s):
1 Ether, aliphatic (-C-O-C-) .......... : -0.0906
1 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -0.0656
Corrected Log Koc .................................. : 1.4880
Estimated Koc: 30.76 L/kg <===========
Description of key information
The log Koc of MTMA estimated by calculation was 1.49 (Kow method) and 0.87 (MCI method) (EPIWEB version 4.1, KOCWIN v2.00).
Key value for chemical safety assessment
- Koc at 20 °C:
- 7.41
Additional information
In accordance with column 2 of REACH annex IX, 9.3.1., no study on adsorption/desorption is required based on a log Kow of 1.3. Moreover, the substance is considered to be readily biodegradable.
However, a calculated adsorption coefficient is provided: The log Koc of MTMA estimated by calculation was 1.49 (Kow method) and 0.87 (MCI method) (estimated with EPIWEB version 4.1, KOCWIN v2.00).
[LogKoc: 0.87]
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