{ "vercy": "1.0-draft", "publication": { "status": "research-draft", "adjudicationStatus": "unreviewed", "publishableCanonical": false, "generatedAt": "2026-09-12T09:08:18Z", "providers": [ "Codex" ], "breadth": "recalled by Codex without web access - no source was read", "missingProviders": [], "pass": 2, "cost": { "grok": { "seconds": 18.8, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094de-cb5c-7ea3-86b1-f4339dc4957d\n--------\nuser\nDescribe what is already known about one registered thing. Answer as JSON only, no prose around it.\n\nThing: di-tert-butyl ether\nSense to describe: (none recorded)\nDomain code: PHY.MAT\nAlso known as: (none)\n\n\nContext for this batch of 1001 things:\n# Batch 043: ", "usd": 0.0, "recall": true }, "codex": { "seconds": 74.9, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094de-cb66-7211-97cb-99e220da23f6\n--------\nuser\nYou are drafting a Vercy meta-model for one registered thing. Answer as JSON only, no prose around it.\n\nThing: di-tert-butyl ether\nRegistry id: vr.tr.di-tert-butyl-ether\nPlane / domain: PHY / PHY.MAT\nRegistry definition: (none recorded)\nNames folded into this " } }, "enrichment": { "pass": 3, "engine": "claude", "producedAt": "2026-10-06T12:00:00Z", "ingestedAt": "2026-10-06T08:49:25+00:00", "fields": [ "agent_conduct", "ethics", "failure_modes_and_hazards", "owners", "standards_and_regulation", "visual_identification" ] }, "gate": { "passed": true, "version": "1.0", "at": "2026-10-07T10:10:29+00:00", "evidence": [ "completeness 1.00", "sense: Wikidata description", "2 live sources", "review by codex: pass" ] } }, "metaModel": { "id": "THING-Q287728", "registryId": "vr.tr.di-tert-butyl-ether", "name": "di-tert-butyl ether", "version": "0.1.0-research.1", "entryKind": "thing", "family": "Thing Registry", "domain": [ "PHY.MAT" ], "status": "research-draft" }, "canonicalUrl": "https://ver.cy/models/thing/q287728/", "model": { "registry_id": "vr.tr.di-tert-butyl-ether", "name": "di-tert-butyl ether", "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.", "definition": "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.", "scope_statement": "This model owns the substance identity of di-tert-butyl ether under vr.tr.di-tert-butyl-ether in PHY / PHY.MAT, together with sample composition, condition-dependent properties, stability evidence and applicable safety constraints.", "in_scope": [ "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_of_scope": [ "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" ], "distinguishing_features": [ "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." ], "characteristics": [ { "name": "Molecular connectivity", "kind": "category", "unit_or_values": "(CH3)3C-O-C(CH3)3; molecular formula C8H18O", "why_it_matters": "Defines the registered substance and excludes ethers with different branching or oxygen substituents." }, { "name": "Verified external identity", "kind": "relation", "unit_or_values": "CAS, PubChem and EC records where verified, with source and retrieval date", "why_it_matters": "Allows property and safety records to be matched without confusing similarly named compounds." }, { "name": "Identity confirmation", "kind": "state", "unit_or_values": "Unverified, provisionally assigned, analytically supported or conflicting; linked methods and results", "why_it_matters": "Separates a label assertion from evidence that the sample contains the specified ether." }, { "name": "Di-tert-butyl ether content", "kind": "measurement", "unit_or_values": "Mass fraction or molar fraction; chromatographic area percentage recorded separately with method", "why_it_matters": "Supports grade and use decisions without treating detector response as a direct purity measurement." }, { "name": "Water and organic impurity profile", "kind": "measurement", "unit_or_values": "mg/kg or mass percent by identified component, with detection limits", "why_it_matters": "Water, tert-butanol and other detected impurities may alter observed properties and suitability." }, { "name": "Phase at stated conditions", "kind": "state", "unit_or_values": "Observed phase with temperature in °C and pressure in kPa", "why_it_matters": "Prevents an assumed ambient state from replacing an observation under the actual conditions." }, { "name": "Phase-transition and volatility measurements", "kind": "measurement", "unit_or_values": "Melting or freezing temperature in °C; boiling temperature in °C at stated kPa; vapour pressure in kPa at stated °C", "why_it_matters": "Supports transfer, containment and separation decisions using condition-specific evidence." }, { "name": "Stability assessment", "kind": "state", "unit_or_values": "Untested, supported within stated conditions, degraded or indeterminate", "why_it_matters": "Makes acid exposure, heat, air exposure and storage history explicit inputs to sample assessment." }, { "name": "Applicable hazard assessment", "kind": "relation", "unit_or_values": "Substance- or product-specific classification, jurisdiction, document date and evidence scope", "why_it_matters": "Prevents hazards or exposure limits for another ether from being silently substituted." } ], "affordances": [ "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." ], "agent_conduct": { "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." ], "must_not": [ "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." ], "requires_human": [ "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." ], "affected_parties": [ "Laboratory staff", "Waste handlers", "People nearby" ] }, "owners": { "steward": "The laboratory or company that holds it; its safety officer answers for storage.", "master_systems": [] }, "visual_identification": [ "A clear colourless liquid in a labelled solvent bottle.", "Identity is confirmed by the label and analysis, not by appearance." ], "failure_modes_and_hazards": [ "Vapour can ignite and form explosive mixtures with air.", "Spills expose staff to vapour inhalation." ], "standards_and_regulation": [ "Globally Harmonized System of Classification and Labelling of Chemicals, United Nations." ], "what_it_is_for": [ "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": [ { "id": "wikidata", "title": "Wikidata item Q287728: di-tert-butyl ether", "url": "https://www.wikidata.org/wiki/Q287728", "url_status": "live", "what_it_supports": "identity and sense of the item", "checked_by": "wikidata-api" }, { "id": "wikipedia-en", "title": "Wikipedia: Di-tert-butyl ether", "url": "https://en.wikipedia.org/wiki/Di-tert-butyl_ether", "url_status": "live", "what_it_supports": "general description of the item", "checked_by": "wikidata-api sitelink" } ], "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.", "rationale": "Similar ether names and shared molecular formulas create a concrete risk of importing evidence for another substance.", "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?", "kind": "definition", "id": "two-tert-butyl-substituents-q01" }, { "text": "What evidence excludes methyl tert-butyl ether, ethyl tert-butyl ether and other dibutyl ether connectivities?", "kind": "boundary", "id": "two-tert-butyl-substituents-q02" } ] } ] }, { "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?", "kind": "provenance", "id": "record-and-sample-agreement-q01" }, { "text": "Which analytical results support the sample assignment, and do they resolve plausible ether isomers or tert-butanol contamination?", "kind": "measurement", "id": "record-and-sample-agreement-q02" } ] } ] } ] }, { "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.", "rationale": "A sample containing this ether can behave differently from a characterised high-purity sample, particularly when water or residual acidic material is present.", "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?", "kind": "measurement", "id": "quantified-ether-content-q01" }, { "text": "Which calibration, reference material and analytical method support the reported assay?", "kind": "provenance", "id": "quantified-ether-content-q02" } ] } ] }, { "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?", "kind": "measurement", "id": "water-alcohol-and-residues-q01" }, { "text": "Does comparison with earlier analyses support degradation during storage, or is the origin of the impurities unresolved?", "kind": "provenance", "id": "water-alcohol-and-residues-q02" } ] } ] } ] }, { "id": "physical-behaviour-and-use", "name": "Physical behaviour and use", "description": "Relates measured phase behaviour and interactions with other materials to a proposed application.", "rationale": "Properties of other ethers cannot establish how di-tert-butyl ether behaves under the temperature, pressure and mixture conditions of an intended use.", "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?", "kind": "measurement", "id": "conditioned-physical-properties-q01" }, { "text": "Which sources provide vapour-pressure and density data for di-tert-butyl ether itself, and over what conditions are those data supported?", "kind": "provenance", "id": "conditioned-physical-properties-q02" } ] } ] }, { "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?", "kind": "measurement", "id": "demonstrated-use-conditions-q01" }, { "text": "What purity, physical-property and compatibility criteria must this sample meet for the proposed use?", "kind": "action", "id": "demonstrated-use-conditions-q02" } ] } ] } ] }, { "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.", "rationale": "The two tertiary alkyl groups make substance-specific reactivity evidence important, while generic ether guidance alone cannot settle classification or storage decisions.", "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?", "kind": "provenance", "id": "supported-stability-envelope-q01" }, { "text": "Does the sample's storage and opening history remain within supported conditions, and what evidence determines whether oxidation or peroxide testing is relevant?", "kind": "action", "id": "supported-stability-envelope-q02" } ] } ] }, { "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?", "kind": "provenance", "id": "applicable-safety-record-q01" }, { "text": "Given the actual sample composition and jurisdiction, what handling, storage, transport and disposal constraints are supported?", "kind": "action", "id": "applicable-safety-record-q02" } ] } ] } ] }, { "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.", "rationale": "A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.", "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.", "evidence": [ "This description is based on recall and structural reasoning, without consulted sources.", "CAS, PubChem and EC identifiers, physical constants, commercial grades and documented applications require verification.", "Check substance-specific safety data before assigning flammability, peroxide formation, toxicity, exposure limits or regulatory classifications." ], "questions": [ { "id": "evidence-confidence-notes-q01", "text": "Which of these check these first hold for the sense of di-tert-butyl ether this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-identifiers", "name": "Identifiers and schemes", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "scheme": "IUPAC systematic nomenclature", "value_or_pattern": "2-tert-butoxy-2-methylpropane", "note": "Names the connectivity of the two tert-butyl groups linked through oxygen." }, { "scheme": "SMILES", "value_or_pattern": "CC(C)(C)OC(C)(C)C", "note": "Structural representation; canonical ordering can vary by software." } ], "questions": [ { "id": "evidence-identifiers-q01", "text": "Which of these identifiers and schemes hold for the sense of di-tert-butyl ether this model covers, and on what evidence?", "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.", "evidence": [ "United Nations Globally Harmonized System of Classification and Labelling of Chemicals (GHS): a framework for hazard classification; no substance-specific classification is asserted here." ], "questions": [ { "id": "evidence-standards-and-regulation-q01", "text": "Which of these standards and regulation hold for the sense of di-tert-butyl ether this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-measurements", "name": "Typical measurements", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "quantity": "Molar mass", "typical_range": "130.23", "unit": "g/mol" } ], "questions": [ { "id": "evidence-measurements-q01", "text": "Which of these typical measurements hold for the sense of di-tert-butyl ether this model covers, and on what evidence?", "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.", "evidence": [ { "name": "Methyl tert-butyl ether", "difference": "Has one methyl group and one tert-butyl group attached to oxygen; di-tert-butyl ether has two tert-butyl groups." }, { "name": "Di-n-butyl ether", "difference": "Has the same molecular formula but two unbranched n-butyl groups rather than two tert-butyl groups." }, { "name": "tert-Butanol", "difference": "Has an O-H bond and one tert-butyl group; di-tert-butyl ether has no O-H bond." } ], "questions": [ { "id": "evidence-neighbours-q01", "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?", "kind": "provenance" } ] } ] } ] } ] }, "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?" ], "statistics": { "bundles": 5, "layers": 9, "findings": 13, "questions": 21 } }