dibutylamine
Enable an agent to recognise dibutylamine, assess the identity and condition of a particular sample, and determine its suitability for a proposed use under documented constraints.
Bundle → Layer → Finding → Questions Filled
6 bundles · 11 layers · 18 findings · 28 questions
Dibutylamine identity Resolve the registry name to a specific molecular structure and distinguish neighbouring substances.
Molecular connectivity
Establish the intended nitrogen substitution and carbon-chain structure.
Di-n-butylamine target
PubChem identifies dibutylamine as the C8H19N structure CCCCNCCCC, with CAS 111-92-2 and CID 8148; use this as the proposed registry interpretation pending registry provenance confirmation. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/8148)
- Does the registry's originating record identify the nitrogen bearing two straight-chain butyl groups? provenance
- What structural evidence distinguishes the sample from branched dibutylamine isomers? definition
Identity boundaries
Keep free base, salts and product representations distinct.
Free-base and product boundary
A record must distinguish dibutylamine molecular identity from protonated derivatives and from commercial materials containing it.
- Does the supplied material represent neutral dibutylamine, a salt with a named counterion, or a mixture? boundary
- Which verified EC and inventory records refer specifically to the proposed free-base identity? provenance
Dibutylamine lot quality Represent the composition and analytical fitness of an actual dibutylamine sample.
Assay and grade
Interpret purity claims using their actual analytical basis.
Usable dibutylamine content
Record assay method, reporting basis and lot evidence before calculating active dibutylamine content.
- Is the reported assay mass purity, chromatographic area purity or a titration-based amine content? measurement
- Could other basic constituents contribute to the reported titration result? boundary
Water and related impurities
Track constituents that can affect dibutylamine use despite an acceptable headline assay.
Application-specific impurity acceptance
Treat water, other amines and residual solvents as analytes to assess where relevant, without assuming they occur in every lot.
- What are the measured water content and relevant impurity concentrations, including detection limits? measurement
- Which impurity thresholds determine whether this lot is suitable for its intended use? action
Dibutylamine physical state Connect observed phase and quantitative physical properties to sample conditions.
Phase and transition evidence
Record phase observations and applicable transition measurements.
Condition-qualified phase
Maintain melting or freezing and boiling data separately from the observed state of a particular sample.
- What phase is observed at the sample's recorded temperature, pressure and composition? measurement
- Which sourced melting and boiling measurements apply, and what pressure and purity were reported? provenance
Density, volatility and partitioning
Support quantity conversion and interpretation of vapour or aqueous contact.
Condition-matched property use
Use density and vapour-pressure data at relevant temperatures; qualify aqueous behaviour by pH and chemical form.
- Which density and vapour-pressure measurements cover the proposed operating temperature? measurement
- Does an aqueous solubility value describe the neutral free base or include protonation under the measurement conditions? boundary
Dibutylamine chemical behaviour Represent the consequences of the secondary-amine structure for a proposed use.
Protonation and reagent role
Separate free-base availability from total dibutylamine-derived material.
Available free base
Assess protonation and intended nitrogen-centred reactivity using the actual solvent and reactants.
- What solvent, acid content and equilibrium evidence determine the available neutral dibutylamine fraction? measurement
- Does the proposed use depend on basicity, nucleophilic reaction or another experimentally supported role? action
Reactive contact and transformation
Assess incompatible contact and unwanted chemical conversion.
Secondary-amine transformation screen
Require substance-specific evidence for incompatible contacts and evaluate whether the intended context warrants investigation of N-nitrosodibutylamine formation.
- Which documented incompatibilities apply to the actual acids, oxidants or other chemicals present? provenance
- Are nitrosating conditions plausible, and what evidence determines whether nitrosamine testing or controls are needed? action
Dibutylamine use constraints Tie hazard, exposure and regulatory evidence to the intended handling context.
Hazard and ignition evidence
Resolve substance hazards and condition-dependent ignition concerns.
Applicable hazard record
Record current classification evidence and method-qualified flash-point data for the relevant substance or supplied composition.
- Which current authoritative classification and supplier safety data apply to this identity, concentration and jurisdiction? provenance
- What flash-point method and value support assessment of the proposed temperature and ignition-source conditions? measurement
Exposure and disposition
Connect applicable exposure criteria and material status to permitted next actions.
Evidence-based handling decision
Keep occupational exposure limits, recommended guidelines and transport or waste classifications distinct, with explicit applicability.
- Which dibutylamine exposure criteria apply locally, with what averaging periods, route annotations and legal status? provenance
- What verified controls and transport or waste determinations are required for this quantity, composition and intended disposition? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.
Reported evidence
Findings from the breadth pass, kept separate from the structural claims.
Check these first
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these check these first hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these identifiers and schemes hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Standards and regulation
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these standards and regulation hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these real-world use hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these typical measurements hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Failure modes and hazards
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these failure modes and hazards hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Regional variation
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these regional variation hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Neighbouring kinds and how to tell them apart
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these neighbouring kinds and how to tell them apart hold for the sense of dibutylamine this model covers, and on what evidence? provenance
Classifiers Filled
- Family
- Thing Registry
- Category
- Physical world and living systems
- Entry kind
- thing
- Plane
- PHY
- Domain
- PHY.MAT
What it is Filled
Dibutylamine ordinarily denotes di-n-butylamine, a secondary aliphatic amine with formula C8H19N in which nitrogen is bonded to two straight-chain butyl groups and one hydrogen.
In scope
- Di-n-butylamine molecular identity and identifier reconciliation
- Sample grade, assay, water content and relevant impurities
- Physical properties with measurement conditions and provenance
- Free-base state, protonation and application-relevant reactivity
- Substance hazards, exposure criteria and jurisdiction-specific identity
Out of scope
- Branched dibutylamine isomers as independently identified substances
- Dibutylammonium salts as separate substances
- Finished formulations containing dibutylamine
- Manufacturing processes and reaction equipment
- Facility operating procedures and individual exposure histories
Why it exists Filled
Enable an agent to recognise dibutylamine, assess the identity and condition of a particular sample, and determine its suitability for a proposed use under documented constraints.
Distinguishing features Filled
- Require two unbranched butyl groups attached to the same nitrogen; a shared molecular formula does not distinguish branched isomers.
- Require a secondary amine with one nitrogen-bound hydrogen, distinguishing it from primary butylamine and tertiary tributylamine.
- Reconcile the proposed identity with CAS 111-92-2, PubChem CID 8148 and connectivity CCCCNCCCC; identifier disagreement requires investigation. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/8148)
- Distinguish the neutral free base from a protonated dibutylammonium species by charge, counterion and sample conditions.
- Distinguish neat dibutylamine from a solution or formulation by measured assay and declared additional constituents.
What robots and AI may and may not do Filled
Must not
- Store it near oxidizers, acids or ignition sources against safety data sheet guidance.
- Handle it without the ventilation and protection the safety data sheet requires.
- Release it to drains, soil or waters.
- Use it in conditions known to form nitrosamines without controls.
Only with a human decision
- Approving bulk transfer or disposal of the chemical.
May
- Describe dibutylamine and its industrial uses in general terms.
- Report hazards, storage and exposure limits from safety data sheets.
Moral aspects Filled
- Amine exposure can burn skin and harm workers' lungs.
- Spills can pollute water used by communities.
Who is affected
- Chemical workers
- Communities near plants
- Emergency responders
Owners Filled
Steward
The business that holds it; chemical safety authorities regulate supply and use.
Master systems
- National chemical inventories
Links to other meta-models Filled
parent
- Q11173 - registry parent class
What else AI and robots need to interact with it Filled
Identity and identifiers required Filled
- Vercy registry: vr.tr.dibutylamine
- Wikidata: Q1209336 (https://www.wikidata.org/wiki/Q1209336)
Direct properties required Filled
- Molecular identity: Proposed identity: di-n-butylamine; formula C8H19N; connectivity CCCCNCCCC
- Regulatory identifier alignment: Registry id, CAS number, PubChem CID, verified EC number and jurisdictional inventory records
- Dibutylamine assay: Mass fraction %, or explicitly identified analytical area %; method and uncertainty required
- Water and impurity profile: Water in mg/kg or mass %; identified impurities in mg/kg or mass %, with detection limits
- Physical state: Solid, liquid, vapour or multiphase, with temperature in °C and pressure in kPa
- Phase transitions: Melting or freezing range and boiling point in °C; pressure, purity and source required
- Density and volatility: Density in kg/m³ at stated temperature; vapour pressure in kPa at stated temperature
- Acid-base behaviour: Conjugate-acid pKa with solvent and temperature; pH only for a specified solution
- Ignition-related properties: Flash point in °C with test method; other ignition data only when sourced
- Hazard and exposure criteria: Classification authority, jurisdiction, revision date, hazard categories and exposure limits in ppm or mg/m³ with averaging periods
Recognition required Filled
- A colourless to pale yellow liquid with a strong fishy, ammonia-like smell.
- Containers carry flammable, corrosive and toxic hazard pictograms.
Capabilities and actions required Filled
- Reconcile a supplier label and analytical identification with the registered molecular identity.
- Accept, reject or quarantine a lot against application-specific assay and impurity requirements.
- Estimate dibutylamine quantity from sample mass and assay, or from volume using condition-matched density.
- Assess whether temperature, pressure and composition support the proposed storage or transfer conditions.
- Screen a proposed use for protonation, incompatible contact and impurity-generation concerns.
- Identify missing evidence that prevents a justified handling or use decision.
Hazards and failure modes required Filled
- Flammable vapours.
- Skin and eye burns.
- Toxicity on inhalation or skin contact.
Standards and interfaces required Filled
- Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations.
Context of use required Filled
- Dibutylamine is encountered as a chemical reagent and intermediate in laboratories and industrial chemical manufacture.
- It is used to prepare other organic compounds, including substances used in agricultural chemicals and rubber processing.
- Its suitability for a particular application depends on documented identity, purity and the requirements of that application.
Sources Filled
- Wikidata item Q1209336: dibutylamine - identity and sense of the item
- Wikipedia: Dibutylamine - general description of the item
Open questions
- Does the registry's originating identifier confirm di-n-butylamine specifically, and does an existing Vercy model already own that concept?
- What verified EC number, inventory entries and current jurisdiction-specific hazard and exposure records apply?
- Which primary measurements establish melting point, boiling point, density, vapour pressure and flash point, with sufficient conditions to reconcile conflicting summaries?
- Which assay methods and impurity limits are appropriate for the intended grade and use, including discrimination from other amines?
- Under the intended storage and use conditions, what evidence establishes stability, compatible contact materials and any need for N-nitrosodibutylamine monitoring?
Machine files
Provenance
thing registry research (pass 2) · unreviewed
Built from: models/things/publications/thing-q1209336/spec.json