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Process Data set: Acetone; Hock Process, oxidation of cumene; single route, at plant; 0.79 g/cm3, 58 g/mol (en) en

Key Data Set Information
Location EU+EFTA+UK
Geographical representativeness description The data set represents the country specific situation in Europe, focusing on the main technologies, the region specific characteristics and / or import statistics.
Reference year 2018
Name
Base name ; Treatment, standards, routes ; Mix and location types ; Quantitative product or process properties
Acetone; Hock Process, oxidation of cumene; single route, at plant; 0.79 g/cm3, 58 g/mol
Use advice for data set Notice: this data set supersedes the EF3.0-compliant version (see link under "preceding data set version" below calculated with the EF3.0). The life cycle inventory is not changed from the original EF3.0 data set. The LCIA results are calculated based on the EF3.1 methods which provide updated characterisation factors in the following impact categories: Climate Change, Ecotoxicity freshwater, Photochemical Ozone Formation, Acidification, Human Toxicity non-cancer, and Human Toxicity cancer. The review report and the data quality ratings refer to the original results. The data set has been updated by the European Commission on the basis of the original EF3.0 data set delivered by the data provider. This dataset has been developed by an industry association and has NOT been officially tendered by EC. An officially tendered data set for the same product is already available at https://ecoinvent.lca-data.com/showProcess.xhtml?uuid=f6d691ae-025e-4c32-bee2-6137c7bbc60a&stock=EF3_0_Chemicals. The Commission recommends using the officially tendered dataset. ESIG confirms this dataset was developed in compliance with the Guide for EF compliant data sets (https://eplca.jrc.ec.europa.eu/permalink/Guide_EF_DATA.pdf) The datasets are specifically designed for these methodological requirements (see above) and the related LCIA methods (listed below) recommended in EF.
Technical purpose of product or process The product is used for solvent applications.
Synonyms C3H6O, CAS 67-64-1, propanone, dimethyl ketone
Classification
Class name : Hierarchy level
  • ILCD: Materials production / Organic chemicals
General comment on data set The data set covers all relevant process steps / technologies over the supply chain of the represented cradle to gate inventory with a very good overall data quality. The inventory is based on representative industry data collected for OSPA (Oxygenated Solvent Producers Association) and the following member companies: CEPSA Quimica S.A., Spain; Domo Caproleuna GmbH, Germany; INEOS Europe AG - Phenol division, Switzerland; SEQENS SAS, France; Versalis S.p.A., Italy. This primary data is completed by secondary background datasets.
Copyright Yes
Owner of data set
Quantitative reference
Reference flow(s)
Time representativeness
Data set valid until 2026
Time representativeness description annual average
Technological representativeness
Technology description including background system Foreground system: Acetone is produced utilizing Hock process as described below: • Cumene (i-propyl benzene) is oxidized by exposure to air to temporarily produce cumene hydroperoxide: • The cumene hydroperoxide is simply cleaved at the top of the benzene ring using an acidic catalyst to produce the two usable products of phenol and acetone. • The catalyst is extracted, and the phenol/acetone mixture is fractionated and purified. Transports and process waste treatment are included in this dataset. Background system: Electricity: Electricity is modelled according to the individual country-specific situations. The country-specific modelling is achieved on multiple levels. Firstly, individual energy carrier specific power plants and plants for renewable energy sources are modelled according to the current national electricity grid mix. Modelling the electricity consumption mix includes transmission / distribution losses and the own use by energy producers (own consumption of power plants and "other" own consumption e.g. due to pumped storage hydro power etc.), as well as imported electricity. Secondly, the national emission and efficiency standards of the power plants are modelled as well as the share of electricity plants and combined heat and power plants (CHP). Thirdly, the country-specific energy carrier supply (share of imports and / or domestic supply) including the country-specific energy carrier properties (e.g. element and energy content) are accounted for. Fourthly, the exploration, mining/production, processing and transport processes of the energy carrier supply chains are modelled according to the specific situation of each electricity producing country. The different production and processing techniques (emissions and efficiencies) in the different energy producing countries are considered, e.g. different crude oil production technologies or different flaring rates at the oil platforms. Thermal energy, process steam: The thermal energy and process steam supply is modelled according to the individual country-specific situation with regard to emission standards and considered energy carriers. The thermal energy and process steam are produced at heat plants. Efficiencies for thermal energy production are by definition 100% in relation to the corresponding energy carrier input. For process steam the efficiency ranges from 85%, 90% to 95%. The energy carriers used for the generation of thermal energy and process steam are modelled according to the specific import situation (see electricity above). Transports: All relevant and known transport processes are included. Ocean-going and inland ship transport as well as rail, truck and pipeline transport of bulk commodities are considered. Energy carriers: The energy carriers are modelled according to the specific supply situation (see electricity above). Refinery products: Diesel fuel, gasoline, technical gases, fuel oils, lubricants and residues such as bitumen are modelled with a parameterised country-specific refinery model. The refinery model represents the current national standard in refining techniques (e.g. emission level, internal energy consumption, etc.) as well as the individual country-specific product output spectrum, which can be quite different from country to country. The supply of crude oil is modelled, again, according to the country-specific situation with the respective properties of the resources.
Flow diagram(s) or picture(s)
  • acetone flow chart.jpg Image
Mathematical model
Model description For mathematical model details concerning the implementation of the CCF formula see: http://www.gabi-software.com/fileadmin/GaBi_Databases/PEF_CFF_model_description.pdf
LCI method and allocation
Type of data set LCI result
LCI Method Principle Attributional
Deviation from LCI method principle / explanations None
LCI method approaches
  • Allocation - exergetic content
  • Allocation - market value
  • Not applicable
  • Allocation - mass
  • Allocation - net calorific value
Deviations from LCI method approaches / explanations Foreground system: For the foreground system, allocation by energy content was applied. CFF formula was applied to account for fuel/energy waste flows for recovery: B = 0 and with {D791CA86-8701-40C0-90A1-937E724051F6} accounting for the associated emission profile and credit of the energy recovery. Background system: For the combined heat and power production, allocation by exergetic content is applied. For the electricity generation and by-products, e.g. gypsum, allocation by market value is applied due to no common physical properties. Within the refinery allocation by net calorific value and mass is used. For the combined crude oil, natural gas and natural gas liquids production allocation by net calorific value is applied. For details please see the document "GaBi Databases Modelling Principles"
Modelling constants Direct land use change: GHG emissions from direct LUC allocated to good/service for 20 years after the LUC occurs. Carbon storage and delayed emissions: credits associated with temporary (carbon) storage or delayed emissions are not considered in the calculation of the EF for the default impact categories. Emissions off-setting: not included Fossil and biogenic carbon emissions and removals: removals and emissions are modelled as follows: All GHG emissions from fossil fuels (including peat and limestone) are modelled consistently with the ILCD list of elementary flows. In the case that the emissions refer to the molecules CO2 and CH4, they are modelled as ‘carbon dioxide (fossil)’ and ‘methane (fossil)’. Biogenic uptake and emissions are modelled separately. For land use change, all carbon emissions and uptakes are inventoried separately for each of the elementary flows. Soil carbon accumulation (uptake) via improved agricultural management is excluded from the model.
Deviation from modelling constants / explanations none
LCA methodology report
Data sources, treatment and representativeness
Data cut-off and completeness principles In the foreground processes all reported flows were considered, trying to avoid any cut-off of material and energy flows. According to the GaBi 2020 LCI database and the EF3.0 reference package used for modelling of the background processes, at least 95% of mass and energy of the input and output flows were covered and 98% of their environmental relevance (according to expert judgment) was considered, hence an influence of cut-offs less than 1% on the total is expected Capital goods (including infrastructures) and their end of life are included unless the exclusion is clearly documented and conform with the cut-off principles. System boundaries include all known processes linked to the product supply chain.
Deviation from data cut-off and completeness principles / explanations None
Data selection and combination principles LCI modeling is fully consistent. Energy and transport datasets from the PEF energy and transports tender are consistently used.
Deviation from data selection and combination principles / explanations none
Data treatment and extrapolations principles Site specific data weighted by production volumes.
Deviation from data treatment and extrapolations principles / explanations none
Documentation of data quality management
Data source(s) used for this data set
Percentage supply or production covered 85.0 %
Uncertainty adjustments None
Completeness
Completeness of product model No statement
Supported impact assessment methods
Completeness elementary flows, per topic
  • Climate change: No statement
  • Ozone depletion: No statement
  • Summer smog: No statement
  • Eutrophication: No statement
  • Acidification: No statement
  • Human toxicity: No statement
  • Freshwater ecotoxicity: No statement
  • Seawater eco-toxicity: No statement
  • Terrestric eco-toxicity: No statement
  • Radioactivity: No statement
  • Land use: No statement
  • Non-renewable material resource depletion: No statement
  • Renewable material resource consumption: No statement
  • Non-renewable primary energy depletion: No statement
  • Renewable primary energy consumption: No statement
  • Particulate matter/respiratory inorganics: No statement
  • Species depletion: No statement
  • Noise: No statement
Validation
Type of review Scope / Method(s) of review Data quality indicators
Independent review panel
Scope name Method name
LCI results or Partly terminated system
  • Documentation
Goal and scope definition
  • Documentation
Raw data
  • Energy balance
  • Validation of data sources
  • Cross-check with other data set
  • Sample tests on calculations
  • Mass balance
Documentation
  • Compliance with ISO 14040 to 14044
  • Documentation
Unit process(es), black box
  • Documentation
Unit process(es), single operation
  • Energy balance
  • Validation of data sources
  • Cross-check with other data set
  • Sample tests on calculations
  • Mass balance
Life cycle inventory methods
  • Compliance with ISO 14040 to 14044
LCIA results
  • Cross-check with other data set
  • Documentation
LCIA results calculation
  • Documentation
  • Overall quality: Very good - 1.2
  • Methodological appropriateness and consistency: Not applicable
  • Precision: Very good - 1.0
  • Completeness: Not applicable
  • Geographical representativeness: Very good - 1.0
  • Time representativeness: Very good - 1.5
  • Technological representativeness: Very good - 1.4
Reviewer name and institution Complete review report
Compliance Declarations
Compliance
Compliance system name
Approval of overall compliance
Fully compliant
Nomenclature compliance
Fully compliant
Methodological compliance
Fully compliant
Review compliance
Fully compliant
Documentation compliance
Fully compliant
Quality compliance
Not defined
Compliance
Compliance system name
Approval of overall compliance
Fully compliant
Nomenclature compliance
Fully compliant
Methodological compliance
Fully compliant
Review compliance
Fully compliant
Documentation compliance
Fully compliant
Quality compliance
Fully compliant
Compliance
Compliance system name
Approval of overall compliance
Fully compliant
Nomenclature compliance
Not defined
Methodological compliance
Fully compliant
Review compliance
Fully compliant
Documentation compliance
Not defined
Quality compliance
Not defined
Compliance
Compliance system name
Approval of overall compliance
Fully compliant
Nomenclature compliance
Not defined
Methodological compliance
Fully compliant
Review compliance
Not defined
Documentation compliance
Fully compliant
Quality compliance
Not defined
Compliance
Compliance system name
Approval of overall compliance
Not defined
Nomenclature compliance
Fully compliant
Methodological compliance
Not defined
Review compliance
Not defined
Documentation compliance
Not defined
Quality compliance
Not defined
Commissioner and goal
Commissioner of data set
Project Eco-profile of three oxygenated solvent (groups): n-Butanol, Butyl Glycol Ethers, Acetone
Intended applications Life Cycle Inventory (LCI) datasets to be used in Product Environmental Footprint Category Rules (PEFCRs) and Organisation Environmental Footprint Sectoral Rules (OEFSRs)
Data generator
Data set generator / modeller
Data entry by
Time stamp (last saved) 2022-12-13T15:35:42.445+01:00
Data set format(s)
Data entry by
Official approval of data set by producer/operator
Publication and ownership
UUID 864b1127-468b-4fce-b240-15658a374fea
Date of last revision 2022-08-02T14:00:00.000
Data set version 01.02.000
Preceding Data set version
Permanent data set URI https://www.esig.org/green-deal/circularity-sustainability/
Workflow and publication status Data set finalised; entirely published
Owner of data set
Copyright Yes
Reference to entities with exclusive access
License type Free of charge for some user types or use types
Access and use restrictions http://www.gabi-software.com/fileadmin/gabi/EULA_European_Commission_-_use_of_thinkstep_LCI_data.pdf
Access to the data set is restricted to metadata only. Please register to get full access to the data set.
Access to the data set is restricted to metadata only. Please register to get full access to the data set.