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Diss Factsheets
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EC number: 201-286-1 | CAS number: 80-51-3
- 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
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Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
EPI Suite
2. MODEL (incl. version number)
KOCWIN Program (v2.00)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=S(=O)(NN)c(ccc(Oc(ccc(S(=O)(=O)NN)c1)c1)c2)c2
4. APPLICABILITY DOMAIN (AD)
Falls within the AD of the model for molecular weight (MW):
MW of OBSH: 348
Training Set Molecular Weights:
Minimum MW: 32.04
Maximum MW: 665.02
Average MW: 224.4
Validation Molecular Weights:
Minimum MW: 73.14
Maximum MW: 504.12
Average MW: 277.8 - Principles of method if other than guideline:
- KOCWIN Program (v2.00)
SMILES : O=S(=O)(NN)c(ccc(Oc(ccc(S(=O)(=O)NN)c1)c1)c2)c2
CHEM : Benzenesulfonic acid, 4,4 -oxybis-, dihydrazide
MOL FOR: C12 H14 N4 O5 S2
MOL WT : 358.39
- Koc Estimate from MCI
- Koc Estimate from Log Kow - GLP compliance:
- no
- Type of method:
- other: QSAR KOCWIN v2.01
- Computational methods:
- KOCWIN Program (v2.00) Results:
==============================
SMILES : O=S(=O)(NN)c(ccc(Oc(ccc(S(=O)(=O)NN)c1)c1)c2)c2
CHEM : Benzenesulfonic acid, 4,4 -oxybis-, dihydrazide
MOL FOR: C12 H14 N4 O5 S2
MOL WT : 358.39
--------------------------- KOCWIN v2.01 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 10.781
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 6.2200
Fragment Correction(s):
1 Ether, aromatic (-C-O-C-) ........... : -0.6791
2 Miscellaneous S(=O) group .......... : -2.5960
Corrected Log Koc .................................. : 2.9449
Estimated Koc: 880.9 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 0.08
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.9694
Fragment Correction(s):
1 Ether, aromatic (-C-O-C-) ........... : 0.0559
2 Miscellaneous S(=O) group .......... : 0.3229
Corrected Log Koc .................................. : 1.3482
Estimated Koc: 22.29 L/kg <=========== - Type:
- log Koc
- Value:
- 2.945
- Remarks on result:
- other: Koc Estimate from MCI
- Type:
- log Koc
- Value:
- 1.348
- Remarks on result:
- other: Koc Estimate from Log Kow
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Log Koc Estimate from MCI: 2.9449, log Koc Estimate from Log Kow: 1.3482
- Executive summary:
The adsorption/desorption coefficient was estimated with EPISUITE, KOCWIN Program (v2.00). OBSH falls in the applicablility domain of the model. The following results were obtained:
Corrected Log Koc .................................. : 2.9449
Estimated Koc: 880.9 L/kg <===========Corrected Log Koc .................................. : 1.3482
Estimated Koc: 22.29 L/kg <===========
Reference
Description of key information
The adsorption/desorption coefficient was estimated with EPISUITE, KOCWIN Program (v2.00). The following results were obtained:
Corrected Log Koc .................................. : 2.9449
Estimated Koc: 880.9 L/kg <===========
Corrected Log Koc .................................. : 1.3482
Estimated Koc: 22.29 L/kg <===========
The conservative value of 2.94 is used for the chemical safety assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 881
Additional information
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.
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