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EC number: 203-851-8 | CAS number: 111-26-2
- 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
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimated data generated using the EPI Suite model developed by the USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- KOCWIN Program (v2.00)
- GLP compliance:
- not specified
- Type of method:
- other: MCI Method
- Media:
- soil
- Radiolabelling:
- not specified
- Test temperature:
- 25 degC
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 146.9
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc= 2.1670 (Estimated via MCI method)
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 146.9 L/kg(log Koc=2.1670) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Hexylamine has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 146.9 L/kg(log Koc=2.1670) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Hexylamine has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : NCCCCCC
CHEM : 1-Hexanamine
MOL FOR: C6 H15 N1
MOL WT : 101.19
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 3.414
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.3796
Fragment Correction(s):
1 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.2127
Corrected Log Koc .................................. : 2.1669
Estimated Koc: 146.9 L/kg
Description of key information
The Soil Adsorption Coefficient i.e Koc value of Hexylamine was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 146.9 L/kg(log Koc=2.1670) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Hexylamine has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 146.9
Additional information
Experimental and Predicted data of adsorption endpoint for the target chemical hexylamine (Cas no. 111-26-2) and its read across chemical were reviewed to summarize as follows:
From predicted model EPI suite 2016 indicate that the soil adsorption coefficient (Koc) value of chemical hexylamine is estimated to be 146.9 L/kg (log KOC = 2.1670) by means of MCI method at 25 deg.C, indicating that it is has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
And read across Hexamethylenediamine (Cas no. 124-09-4)experimental study from HSDB authorative database indicate that the adsorption coefficient (Koc) of substance Hexamethylenediamine was found to be 286 using structure estimation method. This Koc value suggests that hexamethylene diamine is expected to have moderate mobility in soil.
From same source i.e HSDB database the adsorption coefficient (Koc) of read across substance Decylamine (Cas no. 2016-57-1) was found to be 260 using log Kow of 1.92 and a regression-derived equation. This Koc value suggests that decylamine is expected to have moderate mobility in soil.
Thus based on the above all studies it is concluded that the test substance hexylamine (Cas no. 111-26-2) has a Low sorption to soil and sediment i.e have moderate mobility to soil/ sediment.
[LogKoc: 2.167]
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