{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.di-tert-butyl-ether","code":"thing-q287728","url":"https://ver.cy/models/thing/q287728/","name":"di-tert-butyl ether","alternateNames":[],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Di-tert-butyl ether is a symmetrical dialkyl ether with molecular formula C8H18O in which an oxygen atom links two tert-butyl groups, giving the structure (CH3)3C-O-C(CH3)3.","purpose":"Enable an AI agent to recognise di-tert-butyl ether, assess the identity and condition of a particular sample, and determine which uses or handling decisions require further evidence.","scope":{"in":["Molecular identity defined by an oxygen atom joining two tert-butyl groups","Verified substance identifiers, synonyms and distinctions from similarly named ethers","Sample purity, water content, residual reagents and degradation products","Physical properties with measurement conditions and evidence provenance","Stability, incompatibilities and sample-specific handling constraints","Evidence supporting suitability for an intended use"],"out":["Manufacturing routes and reaction equipment as independently modelled processes and devices","Commercial formulations containing di-tert-butyl ether as complete products","Other butyl ethers, including constitutional isomers, as separate substances","Facility ventilation, storage infrastructure and emergency-response systems","Jurisdiction-wide chemical legislation as an independent body of rules"],"boundaries":[]},"distinguishingFeatures":["Verify connectivity as (CH3)3C-O-C(CH3)3: both carbon atoms directly bonded to oxygen must carry three methyl groups.","Distinguish it from methyl tert-butyl ether and ethyl tert-butyl ether by confirming that both oxygen substituents are tert-butyl groups.","Distinguish it from di-n-butyl ether and other C8H18O isomers using connectivity evidence; molecular formula or molecular mass alone cannot establish identity.","Distinguish the ether from tert-butanol by establishing the oxygen bridge between two carbon groups rather than an O-H group.","Distinguish an identified component from a sufficiently characterised sample: detection of di-tert-butyl ether does not establish bulk purity."],"structure":{"bundles":[{"id":"tert-butyl-ether-identity","name":"Tert-butyl ether identity","description":"Establishes the specific two-tert-butyl oxygen connectivity and its correspondence to registry and analytical records.","layers":[{"id":"molecular-boundary","name":"Molecular boundary","description":"Defines which molecular structure belongs to this registry entry.","findings":[{"id":"two-tert-butyl-substituents","name":"Two tert-butyl substituents","description":"Identity must resolve the branching of both groups attached to oxygen rather than stop at the word butyl or the molecular formula.","questions":[{"text":"Does the asserted structure contain an oxygen atom bonded to two tert-butyl groups?","id":"two-tert-butyl-substituents-q01","kind":"definition"},{"text":"What evidence excludes methyl tert-butyl ether, ethyl tert-butyl ether and other dibutyl ether connectivities?","id":"two-tert-butyl-substituents-q02","kind":"boundary"}]}]},{"id":"identity-evidence","name":"Identity evidence","description":"Connects names and identifiers to evidence for the structure and the particular sample.","findings":[{"id":"record-and-sample-agreement","name":"Record and sample agreement","description":"External identifiers and analytical assignments need traceable agreement before their associated data are combined.","questions":[{"text":"Which primary or authoritative records verify the CAS number, PubChem CID and any EC number for this exact structure?","id":"record-and-sample-agreement-q01","kind":"provenance"},{"text":"Which analytical results support the sample assignment, and do they resolve plausible ether isomers or tert-butanol contamination?","id":"record-and-sample-agreement-q02","kind":"measurement"}]}]}]},{"id":"ether-sample-composition","name":"Ether sample composition","description":"Describes the amount of di-tert-butyl ether present and the accompanying components that affect sample interpretation.","layers":[{"id":"assay-and-grade","name":"Assay and grade","description":"Separates declared purity from measured composition and use-specific acceptance criteria.","findings":[{"id":"quantified-ether-content","name":"Quantified ether content","description":"Purity statements must retain their measurement basis and uncertainty.","questions":[{"text":"What is the measured di-tert-butyl ether content, and is it a mass fraction, molar fraction or chromatographic area percentage?","id":"quantified-ether-content-q01","kind":"measurement"},{"text":"Which calibration, reference material and analytical method support the reported assay?","id":"quantified-ether-content-q02","kind":"provenance"}]}]},{"id":"impurities-and-change","name":"Impurities and change","description":"Tracks detected co-components and changes without assuming their origin.","findings":[{"id":"water-alcohol-and-residues","name":"Water, alcohol and residues","description":"The sample record should distinguish measured water, tert-butanol, other organic components and acidic residues from merely suspected impurities.","questions":[{"text":"What water, tert-butanol, other organic impurities or acidic residues were measured, using which detection limits?","id":"water-alcohol-and-residues-q01","kind":"measurement"},{"text":"Does comparison with earlier analyses support degradation during storage, or is the origin of the impurities unresolved?","id":"water-alcohol-and-residues-q02","kind":"provenance"}]}]}]},{"id":"physical-behaviour-and-use","name":"Physical behaviour and use","description":"Relates measured phase behaviour and interactions with other materials to a proposed application.","layers":[{"id":"phase-and-volatility","name":"Phase and volatility","description":"Records phase observations and transition or vapour-pressure data with their conditions.","findings":[{"id":"conditioned-physical-properties","name":"Conditioned physical properties","description":"Physical constants need an identified substance, sample quality, method and temperature or pressure basis.","questions":[{"text":"What phase is observed at the intended temperature and pressure, and which measurements establish relevant melting, freezing or boiling behaviour?","id":"conditioned-physical-properties-q01","kind":"measurement"},{"text":"Which sources provide vapour-pressure and density data for di-tert-butyl ether itself, and over what conditions are those data supported?","id":"conditioned-physical-properties-q02","kind":"provenance"}]}]},{"id":"mixture-and-application-fit","name":"Mixture and application fit","description":"Assesses application-specific behaviour without treating membership in the ether family as proof of suitability.","findings":[{"id":"demonstrated-use-conditions","name":"Demonstrated use conditions","description":"A proposed solvent, reference-material or other role requires evidence tied to the actual composition and operating conditions.","questions":[{"text":"What measurements establish solubility, miscibility or partitioning in the particular water-containing or organic mixture under consideration?","id":"demonstrated-use-conditions-q01","kind":"measurement"},{"text":"What purity, physical-property and compatibility criteria must this sample meet for the proposed use?","id":"demonstrated-use-conditions-q02","kind":"action"}]}]}]},{"id":"stability-and-safe-handling","name":"Stability and safe handling","description":"Captures evidence about chemical change, storage history and applicable hazards for this particular ether.","layers":[{"id":"reactivity-and-storage-history","name":"Reactivity and storage history","description":"Tests whether the sample remains within a supported stability envelope.","findings":[{"id":"supported-stability-envelope","name":"Supported stability envelope","description":"Acid, heat, light and air exposure are assessment variables; their effects must be established rather than presumed.","questions":[{"text":"What substance-specific evidence establishes stability or cleavage under acidic conditions and at elevated temperatures?","id":"supported-stability-envelope-q01","kind":"provenance"},{"text":"Does the sample's storage and opening history remain within supported conditions, and what evidence determines whether oxidation or peroxide testing is relevant?","id":"supported-stability-envelope-q02","kind":"action"}]}]},{"id":"hazard-and-regulatory-evidence","name":"Hazard and regulatory evidence","description":"Links handling decisions to current evidence whose identity, composition and jurisdiction match the material.","findings":[{"id":"applicable-safety-record","name":"Applicable safety record","description":"Hazard classes, exposure information and transport requirements remain unresolved until an applicable record has been checked.","questions":[{"text":"Which dated safety records establish applicable GHS classification, fire-related measurements and any substance-specific exposure limits?","id":"applicable-safety-record-q01","kind":"provenance"},{"text":"Given the actual sample composition and jurisdiction, what handling, storage, transport and disposal constraints are supported?","id":"applicable-safety-record-q02","kind":"action"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of di-tert-butyl ether this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of di-tert-butyl ether this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-standards-and-regulation","name":"Standards and regulation","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these standards and regulation hold for the sense of di-tert-butyl ether this model covers, and on what evidence?","id":"evidence-standards-and-regulation-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of di-tert-butyl ether this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of di-tert-butyl ether this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Read container labels and safety data sheets and report the identity and hazards of the ether.","Track stock, storage location and date of opening in an authorized laboratory inventory."],"mustNot":["Store or handle it near ignition sources or outside a ventilated, approved store.","Transfer it to people or places not authorized to hold flammable solvents.","Pour it down drains or release it to the environment.","Relabel or decant it into unmarked containers."],"requiresHuman":["Disposing of old or damaged containers of flammable solvent.","Releasing it from controlled stock to a new user."]},"ethics":{"considerations":["Flammable solvents put laboratory staff and neighbours at risk of fire.","Careless disposal pollutes water and soil."],"affectedParties":["Laboratory staff","Waste handlers","People nearby"]},"owners":{"steward":"The laboratory or company that holds it; its safety officer answers for storage.","roles":[],"masterSystems":[]},"relations":[{"target":"Q29652967","type":"parent","note":"registry parent class"},{"target":"Q38881042","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.di-tert-butyl-ether","Wikidata: Q287728 (https://www.wikidata.org/wiki/Q287728)"]},"properties":{"applicability":"required","items":["Molecular connectivity: (CH3)3C-O-C(CH3)3; molecular formula C8H18O","Verified external identity: CAS, PubChem and EC records where verified, with source and retrieval date","Identity confirmation: Unverified, provisionally assigned, analytically supported or conflicting; linked methods and results","Di-tert-butyl ether content: Mass fraction or molar fraction; chromatographic area percentage recorded separately with method","Water and organic impurity profile: mg/kg or mass percent by identified component, with detection limits","Phase at stated conditions: Observed phase with temperature in °C and pressure in kPa","Phase-transition and volatility measurements: Melting or freezing temperature in °C; boiling temperature in °C at stated kPa; vapour pressure in kPa at stated °C","Stability assessment: Untested, supported within stated conditions, degraded or indeterminate","Applicable hazard assessment: Substance- or product-specific classification, jurisdiction, document date and evidence scope"]},"recognition":{"applicability":"required","items":["A clear colourless liquid in a labelled solvent bottle.","Identity is confirmed by the label and analysis, not by appearance."]},"capabilities":{"applicability":"required","items":["Reconcile a sample label with structural evidence and verified substance identifiers.","Assess whether analytical results distinguish di-tert-butyl ether from other butyl ethers and tert-butanol.","Compare samples or grades against a specified purity and impurity requirement.","Evaluate physical-property evidence for a proposed temperature and pressure range.","Flag storage histories or analytical findings that require reassessment before use.","Determine whether available identity, compatibility and safety evidence supports a proposed use or leaves it unresolved."]},"hazards":{"applicability":"required","items":["Vapour can ignite and form explosive mixtures with air.","Spills expose staff to vapour inhalation."]},"interfaces":{"applicability":"required","items":["Globally Harmonized System of Classification and Labelling of Chemicals, United Nations."]},"context":{"applicability":"required","items":["Di-tert-butyl ether is encountered in specialist organic chemistry research and chemical reference collections.","Its structure makes it relevant to studies comparing steric effects and reactivity among ethers."]}},"sources":[{"title":"Wikidata item Q287728: di-tert-butyl ether","url":"https://www.wikidata.org/wiki/Q287728","note":"identity and sense of the item"},{"title":"Wikipedia: Di-tert-butyl ether","url":"https://en.wikipedia.org/wiki/Di-tert-butyl_ether","note":"general description of the item"}],"openQuestions":["What verified CAS number, PubChem CID, EC number and authoritative synonyms correspond to this exact connectivity?","Which measured melting or freezing points, boiling points, vapour pressures and densities are available with sample purity and measurement conditions?","What experimentally supported conditions govern acid-induced cleavage, thermal decomposition and long-term storage stability?","What substance-specific evidence establishes oxidation or peroxide behaviour, and is routine peroxide monitoring warranted?","Which current hazard classifications, exposure limits if any, and transport requirements apply to neat di-tert-butyl ether and to the particular grade being assessed?"],"resources":{"spec":"/models/things/publications/thing-q287728/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q287728/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T09:08:18Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:29+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}