acetone
Enable an AI agent to identify acetone, assess a particular lot or sample, and determine its suitability and constraints for a specified use.
Research draft, second pass
A second pass drafted this model: the structure a model of this thing needs, and what is known about it in the world. The line under this one says how the second half was obtained - researched against sources, or recalled without web access, in which case nothing here was read anywhere and every claim is a lead to verify. Unreviewed either way.
recalled by Codex without web access - no source was read
Researched by: Codex
Purpose and description
Enable an AI agent to identify acetone, assess a particular lot or sample, and determine its suitability and constraints for a specified use.
Acetone, also called propan-2-one, is the simplest ketone, with molecular formula C3H6O and structure CH3COCH3, occurring as a volatile, flammable, water-miscible liquid under ordinary ambient conditions.
It can be Reconcile an acetone label with authoritative identifiers and analytical evidence.; Accept or reject a lot against the requirements of a named solvent application.; Compare physical measurements with reference values under matching conditions.; Assess a proposed material contact using acetone-specific compatibility evidence.; Identify handling constraints from the applicable safety data sheet, exposure framework and task conditions.; Route used or suspect acetone for retesting, recovery or waste assessment using its documented composition..
Distinguishing features
Match molecular connectivity to (CH3)2CO, rather than accepting a molecular formula or the general label 'ketone' alone. [NIOSH acetone entry](https://www.cdc.gov/niosh/npg/npgd0004.html)
Resolve acetone, propan-2-one and dimethyl ketone to CAS 67-64-1; cross-check EC 200-662-2 against the substance record. [ECHA acetone record](https://echa.europa.eu/substance-information/-/substanceinfo/100.000.602)
Require analytical evidence capable of distinguishing acetone from other solvents; colour, odour and a commercial solvent name are insufficient identity tests.
Distinguish an acetone lot with documented impurities from an acetone-containing formulation by its declared composition and intended specification.
Distinguish ordinary acetone from explicitly isotope-labelled material when analytical use depends on isotopic composition.
Scope
+ Molecular identity and authoritative substance identifiers
+ Lot-specific acetone assay, water content, impurities and grade
+ Physical properties with measurement conditions and uncertainty
+ Solvent performance and compatibility for a specified application
+ Hazard classification, exposure assessment and regulatory identity
+ Condition changes affecting storage, reuse or waste designation
- Complete formulations of products containing acetone
- Design and operation of acetone manufacturing processes
- Clinical interpretation of acetone in biological samples
- Detailed models of containers, ventilation systems and protective equipment
- Reaction procedures and models of substances produced from acetone
- Operation of waste treatment and solvent recovery facilities
Characteristics
- Substance identity
- Canonical name, molecular structure, CAS number, EC number and verified PubChem CID Connects identity evidence and regulatory records without confusing related substances or commercial formulations.
- Acetone assay
- % mass fraction or another explicitly stated basis; method and uncertainty required Establishes composition; chromatographic area percentage must not silently become mass purity.
- Water content
- mg/kg or % mass fraction, with method and sampling date Allows assessment against moisture-sensitive application requirements.
- Impurity and residue profile
- Named analytes in mg/kg; nonvolatile residue in mg/L or mg/kg; detection limits Separates general solvent adequacy from suitability for residue-sensitive or analytical work.
- Grade and specification
- Supplier-declared grade, specification issuer, revision and lot conformity Makes grade claims assessable rather than treating labels such as analytical or anhydrous as complete specifications.
- Physical state and conditions
- Phase, temperature in °C, absolute pressure in kPa and observation time Provides the conditions needed to interpret reference properties and actual handling state.
- Phase-transition properties
- Melting/freezing point and boiling point in °C, with pressure, purity and source Supports phase assessment and comparison of measurements with appropriate reference data.
- Density and volatility
- Density in kg/m³ and vapour pressure in kPa, each at stated temperature Supports quantity conversions and evaluation of evaporation-related constraints.
- Fire properties
- Flash point in °C with test method; flammability limits in volume % with conditions Acetone is a flammable liquid; decisions require the applicable property basis and operating conditions. [NIOSH acetone entry](https://www.cdc.gov/niosh/npg/npgd0004.html)
- Hazard classification
- GHS implementation, hazard classes and categories, statements, jurisdiction, source and revision Prevents an agent from treating one supplier label or jurisdiction's classification as universally applicable.
- Airborne exposure
- ppm or mg/m³; sampling method, duration and applicable limit authority Allows comparison on a matching time basis while distinguishing recommended limits from enforceable limits.
- Contact compatibility
- Contact material or chemical, concentration, temperature, duration, evidence and acceptance result Determines whether acetone can contact a specific surface, seal, container or process material.
- Lot disposition
- Unassessed, accepted for specified use, quarantined, awaiting retest, designated for recovery or designated waste Connects current evidence to permitted actions without assuming that identity alone establishes fitness.
Where this came from
wikidata · CC0 1.0
Also registered as vr.tr.acetone
Drafted structure
Bundle to layer to finding to question, as the second pass will find it: 7 bundles · 13 layers · 21 findings · 41 questions.
Acetone identity and boundaries Establishes which chemical entity and material instance the record represents.
A solvent name can refer to a substance, a grade or a formulated product; these require different decisions.
Molecular and registry identity
Connects the registered thing to an explicit structure and verified identifiers.
Identifier agreement
Record the acetone structure and reconcile identifiers with CAS 67-64-1 and EC 200-662-2. [ECHA acetone record](https://echa.europa.eu/substance-information/-/substanceinfo/100.000.602)
- Does the stated structure identify acetone, rather than relying only on the formula C3H6O? definition
- Which authoritative records were read to verify the CAS number, EC number and PubChem CID? provenance
Substance, lot or formulation
Separates the chemical identity from commercial and sample-specific descriptions.
Acetone record boundary
Represent grades and lots through this substance model while linking separately modelled formulations and special isotopic compositions.
- Is this record about acetone itself, an identified lot or a product containing acetone? boundary
- Does the application require explicit isotopic composition or a link to a separately registered labelled substance? boundary
Acetone grade and composition Captures the evidence that a particular acetone lot meets its intended specification.
Acetone concentration alone does not establish water content, residue burden or application suitability.
Assay and contaminants
Records quantitative composition with analytical meaning preserved.
Purity evidence
Keep acetone assay, water content and relevant impurities separate, with methods, reporting bases and detection limits.
- What are the acetone assay and its reporting basis, method and uncertainty? measurement
- What water, organic impurity and nonvolatile residue results are available for this lot? measurement
- Which certificate or laboratory record ties those results to the sampled lot? provenance
Grade and use qualification
Translates a grade claim into application-specific acceptance criteria.
Qualified solvent use
Assess grade against explicit requirements, including water, residue or analytical background where relevant.
- Which published or supplier specification defines the claimed acetone grade? provenance
- Which measured requirements must this lot meet for the proposed application? action
- Does missing evidence require retesting or quarantine before use? action
Acetone phase and volatility Relates physical properties to actual sample conditions.
Phase, evaporation and quantity calculations depend on temperature, pressure and composition.
Phase reference
Distinguishes pure-substance reference properties from observations of a particular sample.
Conditioned phase properties
Record melting/freezing and boiling data with pressure, composition and source instead of using unexplained constants.
- What phase is observed at the sample's measured temperature and pressure? measurement
- Which sourced melting and boiling values apply, and under what purity and pressure conditions? provenance
Evaporation and quantity
Supports interpretation of transfers, storage losses and mass-volume conversions.
Volatility and density basis
Associate density and vapour pressure with temperature and distinguish estimated evaporation from measured loss.
- What temperature-qualified density supports the mass-volume conversion? measurement
- What vapour-pressure evidence applies to the acetone composition and temperature? provenance
- Does observed quantity loss require investigation of evaporation, leakage or measurement error? action
Acetone solvency and compatibility Determines whether acetone can perform the intended solvent role without unacceptable effects.
Solvent usefulness and material damage must be evaluated together for the actual target and contact conditions.
Solvent performance
Defines the material to dissolve or remove and the required outcome.
Application-specific solvency
Record dissolution, cleaning or analytical performance against a named target and measurable endpoint.
- Which target material must acetone dissolve, extract or remove, and under what conditions? definition
- What test demonstrates adequate performance and acceptable remaining residue? measurement
Contact materials and reactants
Assesses contacted surfaces, seals, containers and other chemicals.
Supported contact decision
Base contact decisions on evidence for the specific material formulation and operating conditions.
- Which exact polymers, coatings, seals, metals and chemicals will contact the acetone? boundary
- What compatibility evidence covers the concentration, temperature and contact duration? provenance
- Which proposed contacts require substitution, isolation or further testing? action
Acetone hazards and controls Connects acetone hazard evidence to a particular handling or exposure scenario.
Substance identity and grade do not by themselves establish acceptable handling conditions.
Fire and classification
Records applicable classifications and the physical evidence supporting fire precautions.
Applicable hazard record
Capture the applicable GHS classification and acetone fire properties with their sources, revisions and test conditions.
- Which jurisdiction-specific classification and current safety data sheet apply to this material? provenance
- What sourced flash point, test method and flammability limits support the assessment? measurement
- Which ignition and vapour-control requirements follow for the proposed operation? action
Exposure and protection
Connects measured exposure and contact scenarios to applicable limits and protective evidence.
Exposure comparison basis
Keep limit authority, legal status and averaging period explicit; the NIOSH acetone entry lists distinct NIOSH REL and OSHA PEL values. [NIOSH acetone entry](https://www.cdc.gov/niosh/npg/npgd0004.html)
- Which exposure limits apply at this location, with what averaging periods and legal status? provenance
- What measured airborne concentrations can be compared on those same time and unit bases? measurement
- What ventilation and protective-equipment evidence supports the actual inhalation, splash and skin-contact scenario? action
Acetone storage and disposition Tracks whether stored or used acetone remains suitable and how it is classified for subsequent movement.
Opening, use and contamination can change lot suitability and invalidate assumptions used for unused material.
Stored lot condition
Connects container history and observations to continued qualification.
Continued lot fitness
Record opening, transfers, closure integrity and suspected contamination as triggers for reassessment.
- What opening, transfer and storage history is documented for this acetone lot? provenance
- Have water content, assay, residue or appearance changed relative to the accepted specification? measurement
- What evidence permits continued use or triggers retesting and quarantine? action
Reuse, transport and waste
Assesses the material's next disposition using composition and applicable rules.
Composition-dependent disposition
Distinguish unused acetone, recovered solvent and contaminated waste before assigning reuse eligibility or movement classifications.
- What contaminants and process history distinguish this material from the original acetone lot? boundary
- Which current transport or waste rules apply to its composition, location and intended movement? provenance
- Does the evidence support reuse against a named specification, recovery assessment or waste routing? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.
A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.
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.
- This is recalled knowledge, not researched verification; current regulatory classifications and exposure limits should be checked against authoritative jurisdiction-specific records.
- Grade names describe commercial purity and impurity specifications, not different molecular substances; acceptance criteria depend on the supplier or applicable specification.
- Physical constants refer to substantially pure acetone; verify temperature, pressure, water content, and test method before technical use.
- Which of these check these first hold for the sense of acetone this model covers, and on what evidence? provenance
Kinds and varieties
Recalled without web access and unsourced; every item is a lead to verify.
- Technical-grade acetone
- Reagent-grade acetone
- HPLC-grade acetone
- Spectrophotometric-grade acetone
- Anhydrous acetone
- Which of these kinds and varieties hold for the sense of acetone this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- CAS Registry Number - 67-64-1 - Identifies acetone as a chemical substance, without specifying grade or purity.
- PubChem CID - 180 - Compound identifier for acetone.
- EC number - 200-662-2 - European chemical substance inventory identifier.
- UN dangerous goods number - UN 1090 - Transport identifier for acetone.
- Which of these identifiers and schemes hold for the sense of acetone this model covers, and on what evidence? provenance
Standards and regulation
Recalled without web access and unsourced; every item is a lead to verify.
- United Nations Globally Harmonized System of Classification and Labelling of Chemicals (GHS): framework for communicating chemical hazards.
- European Union Classification, Labelling and Packaging Regulation (CLP): acetone classification includes flammable liquid category 2, eye irritation category 2, and specific target organ toxicity following single exposure category 3 for narcotic effects.
- European Union REACH Regulation: chemical registration and supply-chain information requirements.
- United Nations Recommendations on the Transport of Dangerous Goods, Model Regulations: acetone is assigned to class 3, packing group II.
- United States Occupational Safety and Health Administration (OSHA), Air Contaminants standard: establishes an occupational exposure limit for acetone.
- Which of these standards and regulation hold for the sense of acetone this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Solvent in coatings, adhesives, inks, and resin processing.
- Laboratory solvent for cleaning, extraction, and sample preparation.
- Ingredient in some nail-polish removers.
- Chemical intermediate in manufacturing methyl methacrylate and bisphenol A.
- Cleaning and degreasing compatible surfaces and equipment.
- Which of these real-world use hold for the sense of acetone this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Molar mass - 58.08 - g/mol
- Normal boiling point - Approximately 56.1 at 101.325 kPa - °C
- Melting point - Approximately -94.7 - °C
- Liquid density - Approximately 0.79 at 20 °C - g/cm³
- Closed-cup flash point - Approximately -20; reported value depends on test method - °C
- Which of these typical measurements hold for the sense of acetone 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.
- Readily ignites; vapour can form flammable mixtures with air and travel to ignition sources.
- High vapour concentrations can cause drowsiness, dizziness, and central nervous system depression.
- Causes eye irritation; repeated skin contact can remove skin oils and cause dryness or cracking.
- Attacks or dissolves some plastics, coatings, adhesives, and elastomers.
- Incompatible with strong oxidizing agents; hazardous reactions can occur.
- Which of these failure modes and hazards hold for the sense of acetone this model covers, and on what evidence? provenance
Regional variation
Recalled without web access and unsourced; every item is a lead to verify.
- Occupational exposure limits and averaging periods differ among jurisdictions and standard-setting bodies.
- Hazard labels and safety data sheets follow local implementations of chemical classification rules.
- Solvent-emission treatment varies: acetone is excluded from the United States EPA regulatory definition of VOC for certain air-pollution purposes, but that exemption is not universal.
- Which of these regional variation hold for the sense of acetone 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.
- Ketone - Ketone is a chemical class; acetone is its simplest member, with two methyl groups bonded to the carbonyl carbon.
- Propanal - Has the same molecular formula, C3H6O, but an aldehyde group rather than acetone's ketone group.
- Isopropyl alcohol - An alcohol with formula C3H8O; its central carbon bears a hydroxyl group rather than a carbonyl group.
- Butan-2-one - A ketone with methyl and ethyl substituents and formula C4H8O, rather than acetone's two methyl substituents.
- Nail-polish remover - A formulated product that may contain acetone or alternative solvents; it is not synonymous with the pure substance.
- Which of these neighbouring kinds and how to tell them apart hold for the sense of acetone this model covers, and on what evidence? provenance
What the second pass must settle
- Does an existing Vercy world model already cover acetone, and which publication should this registry entry link to?
- Which authoritative PubChem record and condition-qualified physical-property sources should supply the publication's verified identifiers and numerical constants?
- Which jurisdictions and use settings must the completed model cover for GHS classifications, exposure limits, transport and waste requirements?
- Which grade specifications and impurity thresholds are required for the intended acetone applications?
- Which contact-material data and retesting criteria adequately support decisions for opened, recovered or contaminated acetone?