Close Go back Collapse all sectionsProcess Data set: Acetone from isopropanol production; technology mix; production mix, at plant; 100% active substance (en) en
Key Data Set Information
Location RER
Reference year 2017
Name
Base name ; Treatment, standards, routes ; Mix and location types ; Quantitative product or process properties
Acetone from isopropanol production; technology mix; production mix, at plant; 100% active substance
Classification
Class name : Hierarchy level
  • ILCD: Materials production / Organic chemicals
General comment on data set TYPE OF DATASET For every chemical compound three datasets are created; the unit process (partially terminated system), the non-energy and transport component of the partially terminated system, and the cumulative life cycle inventory dataset (system process). For more information and flow chart see the report (ecoinvent, 2017, Data on the Production of Chemicals created for the EU Product Environmental Footprint (PEF) pilot phase implementation, www.ecoinvent.org, ecoinvent Association, Z\xc3\xbcrich, Switzerland). This dataset represent the cumulative life cycle inventory dataset (system process). PROCESS DESCRIPTION This activity represents the production of acetone from isopropanol. Acetone can be produced both by hydrogenation or oxidation of isopropanol with the aid of a catalyst. This process represents the hydrogenation of isopropanol with the aid of a copper catalyst. Acetone is mainly used as a solvent (Lokras et al. 1970 and Scharf et al. 1981). Global production of acetone is around 5.5 million metric tons (Gallardo Hipolito 2011). The activity starts when the raw materials enter the process. Materials entering the process are included as well as energy uses, infrastructure and emissions. References ecoinvent (2017) Data on the Production of Chemicals created for the EU Product Environmental Footprint (PEF) pilot phase implementation, www.ecoinvent.org, ecoinvent Association, Z\xc3\xbcrich, Switzerland Gendorf (2016) Umwelterkl\xc3\xa4rung 2015, Werk Gendorf Industriepark, www.gendorf.de Gallardo Hipolito, M. 2011. Life Cycle Assessment of platform chemicals from fossil and lignocellulosic biomass scenarios LCA of phenolic compounds, solvent, soft and hard plastic precursors. Master in Industrial Ecology. Norwegian University of Science and Technology Department of Energy and Process Engineering. Retrieved from: http://daim.idi.ntnu.no/masteroppgaver/006/6362/tittelside.pdf, accessed 6 January 2017 Lokras et al. 1970 Catalytic Dehydrogenation Of 2-Propanol To Acetone. Ind. Eng. Chem. Process Des. Develop., Vol. 9, no. 2 Scharf et al. 1981 Process For The Production Of Acetone From Isobutyraldehyde. United States Patent 4,205,119 Water content of the reference product: 0.0 kg Biogenic carbon content of the reference product: 0.0 kg DATA QUALITY ASSESSMENT The data quality ratings for the datasets were determined as the average of the 5 individual ratings for Technological Representativeness, Geographical Representativeness, Time-related representativeness, Precision/uncertainty, and implementation of the End of Life Formula. The final scores for these 5 descriptors were determined by the independent, external reviewer after a discussion with the internal reviewers. The basis for this determination was generally a contribution analysis of the material and energy inputs as well as direct resource uses and emissions. This process was required by the tender. The contribution analysis is based on the most important flows in the dataset, defined in the tender specifications as \xe2\x80\x9cthe unit processes contributing cumulatively to at least to 80% of the total environmental impact based on characterised and normalised results\xe2\x80\x9d. In addition to unit processes, direct emissions also qualified as input exchanges for this approach. For the normalization, the normalisation factors \xe2\x80\x9cEC-JRC Global (2010 or 2013), per person\xe2\x80\x9d available at http://eplca.jrc.ec.europa.eu/?page_id=140 were used. For each parameter, the DQR scores were chosen to best reflect the conditions and quality of the amount value, the appropriateness of the chosen exchange for the specific needs of the system under analysis, and the quality of the foreground and background data for aggregated inputs of exchanges from the technosphere, i.e. not direct emissions or resource uses. ENERGY AND TRANSPORT INFORMATION SOURCE Energy and transport was used in both the foreground and background of this dataset. When building the dataset, energy and transport demands were supplied directly by datasets provided by thinkstep. The background for every other input from technosphere uses a modified version of the ecoinvent database, created specifically for the PEF. In this version, every instance of energy and transport supply, anywhere in the database, was replaced by a dataset from thinkstep. This ensures that every demand for energy and transport, in the foreground and in the background, is supplied by a thinkstep dataset. BILL OF MATERIALS The bill of material includes the following inputs: chemical factory, organics: 4e-10 unit heat, in chemical industry: 2.35 MJ isopropanol: 1.09119975324 kg nitrogen, liquid: 0.019 kg tap water: 0.026 kg wastewater, average: -2.7e-06 m3 Electricity: 0.416 kWh. NOT INCLUDED EXCHANGES The following exchanges have not been included in the inventory as they are not part of the official list of elementary exchanges published by the JRC. The EC and JRC were not able to provide an extended flow list during the duration of the data creation. If the JRC decides to include these exchanges in the master data, they may be added to the exchange section of the dataset by ecoinvent as part of a maintenance. The absence of these exchanges does not change the scores calculated with the ILCD recommended methods, but that might not be the case for other LCIA methods. Fatty acid methyl ester, Emissions to air, Emissions to air, unspecified: 1.39e-15 kg inland water bodies, Resources, Land occupation: 2.67e-05 m2*a sodium hydroxide, Emissions to water, Emissions to water, unspecified: 4.32e-14 kg sodium hypochlorite, Emissions to water, Emissions to water, unspecified: 8.04e-14 kg PROCESS DIAGRAM LEGEND The file 'chemical_dataset_diagram.jpg' presents the relationship between partially terminated datasets, energy and transport from datasets from thinkstep, and the aggregated inputs dataset. The aggregated inputs dataset is available on the node, under the name 'Acetone from isopropanol production, aggregated inputs, RER.xml' The following datasets from thinkstep are used as inputs of energy: 0.416 kWh of Electricity from Electricity grid mix 1kV-60kV - EU-28+3 The following datasets from thinkstep are used as inputs of transport: 0.00887 metric ton*km of Transport from Barge - EU-28+3 0.018 metric ton*km of Transport from Barge - ROW w/o EU-28+3 0.0602 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight >32 t (without fuel) - EU-28+3 0.00442 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight 20-26 t (without fuel) - EU-28+3 0.026 metric ton*km of Transport from Articulated lorry transport, Total weight 20-26 t, mix Euro 0-5 - ROW w/o EU-28+3 0.0195 metric ton*km of Transport from Articulated lorry transport, Total weight 14-20 t, mix Euro 0-5 - ROW w/o EU-28+3 0.013 metric ton*km of Transport from Articulated lorry transport, Total weight 28-32 t, mix Euro 0-5 - ROW w/o EU-28+3 0.00221 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight 28-32 t (without fuel) - EU-28+3 0.00359 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight 14-20 t (without fuel) - EU-28+3 0.00337 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight <7.5 t (without fuel) - EU-28+3 0.000275 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight 12-14 t (without fuel) - EU-28+3 0.000619 metric ton*km of Transport from Articulated lorry transport, Euro 3, Total weight 7,5-12 t (without fuel) - EU-28+3 0.0557 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight >32 t (without fuel) - EU-28+3 0.00182 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight 20-26 t (without fuel) - EU-28+3 0.00292 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight 12-14 t (without fuel) - EU-28+3 0.00383 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight 14-20 t (without fuel) - EU-28+3 0.00219 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight <7.5 t (without fuel) - EU-28+3 0.000439 metric ton*km of Transport from Articulated lorry transport, Euro 4, Total weight 7,5-12 t (without fuel) - EU-28+3 0.0236 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight >32 t (without fuel) - EU-28+3 0.0012 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight 12-14 t (without fuel) - EU-28+3 0.000737 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight 20-26 t (without fuel) - EU-28+3 0.00157 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight 14-20 t (without fuel) - EU-28+3 0.000877 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight <7.5 t (without fuel) - EU-28+3 0.000206 metric ton*km of Transport from Articulated lorry transport, Euro 5, Total weight 7,5-12 t (without fuel) - EU-28+3 0.654 metric ton*km of Transporting capacity from Transoceanic ship, containers - GLO 0.164 metric ton*km of Transport from Freight train, diesel traction - EU-28+3 0.167 metric ton*km of Transport from Freight train, electricity traction - EU-28+3 0.00695 metric ton*km of Transport from Freight train, average (without fuel) - EU-28+3
Copyright Yes
Owner of data set
Quantitative reference
Reference flow(s)
Time representativeness
Data set valid until 2020
Technological representativeness
Technology description including background system The production of acetone from dehydrogenation of isopropanol is preferred as it as an endothermic reaction and requires less control of the critical temperature. Isopropanol is dehydrogenated to acetone with the aid of a copper catalyst (Lokras et al. 1970 and Scharf et al. 1981). Lokras et al. (1981) suggest the use of Cu-SiO2 as a catalyst. The copper catalyst in not consider significant in terms of emissions for the reaction and it is therefore not included in the dataset and it is assumed to be taken into consideration in the input of chemical factory. Chemical reaction: (CH3)2CHOH -> (CH3)2CO + H2 This inventory representing production of a particular chemical compound is at least partially based on a generic model on the production of chemicals. The data generated by this model have been improved by compound-specific data when available. The model on production of chemicals is using specific industry or literature data wherever possible and more generic data on chemical production processes to fill compound-specific data gaps when necessary. The basic principles of the model have been published in literature (Hischier 2005, Establishing Life Cycle Inventories of Chemicals Based on Differing Data Availability). The model has been updated and extended with newly available data from the chemical industry. In the model, unreacted fractions are treated in a waste treatment process, and emissions reported are after a waste treatment process that is included in the scope of this dataset. For volatile reactants, a small level of evaporation is assumed. Solvents and catalysts are mostly recycled in closed-loop systems within the scope of the dataset and reported flows are for losses from this system. For more detailed description of the model see the sectorial report (ecoinvent (2017) Data on the Production of Chemicals created for the EU Product Environmental Footprint (PEF) pilot phase implementation, www.ecoinvent.org, ecoinvent Association, Z\xc3\xbcrich, Switzerland).
LCI method and allocation
Type of data set LCI result
LCI Method Principle Attributional
Deviation from LCI method principle / explanations The background data use the \xe2\x80\x9cRecycled content cut-off\xe2\x80\x9d approach to allocate end-of-life by-products and secondary materials. This allocation is explained in the description of the recycled content system model (http://www.ecoinvent.org/database/system-models-in-ecoinvent-3/cut-off-system-model/allocation-cut-off-by-classification.html).
LCI method approaches
  • Allocation - market value
Deviations from LCI method approaches / explanations Allocation following the ISO 14044 hierarchy.
Modelling constants All modelling constants follow the requirements listed in the Tender Specifications ENV.B.1/SER/2016/0038vl. Completeness: All known environmental flows are included. All known resource uses and emissions are listed in the inventory. Water use: water use is modelled at country level using separate flows for water withdrawal, water release and water evaporation. Cut-off: All known environmental flows are included. All known resource uses and emissions are listed in the inventory. Handling multi-functional processes: the following PEF multi- functionality decision hierarchy is applied for resolving all multi- functionality problems: (1) subdivision or system expansion; (2) allocation based on a relevant underlying physical relationship (substitution may apply here); (3) allocation based on some other relationship. Direct land use change: GHG emissions from direct LUC allocated to good/service for 20 years after the LUC occurs, with IPCC default values. Carbon storage and delayed emissions: credits associated with temporary (carbon) storage or delayed emissions up to 300 years are not be considered. Emissions off-setting: are not included. Capital goods (including infrastructures) and their End of life: they are included. System boundaries: system boundaries include all processes linked to the product supply chain (e.g. maintenance). Time period: emissions and removals are modelled as if released or removed at the beginning of the assessment method. 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 most updated ILCD list of elementary flows. The non-fossil (biogenic) carbon flows are modelled consistently with the most updated ILCD list of elementary flows.
Deviation from modelling constants / explanations None
Data sources, treatment and representativeness
Data cut-off and completeness principles All known environmental flows are included. All known resource uses and emissions are listed in the inventory. The dataset dry mass balance has been checked to ensure the inventory is complete. Capital goods (e.g. infrastructure) and their end-of-life are included.
Deviation from data cut-off and completeness principles / explanations None
Data selection and combination principles These datasets include, in both their foreground and background data, links to energy and transport data provided specifically for the PEF pilot projects. The relevant background data on energy and transport are from the existing LCDN data node (http://lcdn.thinkstep.com/Node/). All other background data in the supply chain of this product are from the ecoinvent v3.3 database (www.ecoinvent.org).
Deviation from data selection and combination principles / explanations None
Data treatment and extrapolations principles Several data sources have been used to model the inventory.
Deviation from data treatment and extrapolations principles / explanations None
Uncertainty adjustments None
Completeness
Completeness of product model All relevant flows quantified
Validation
Type of review Scope / Method(s) of review Data quality indicators Review details
Independent review panel
  • Overall quality: Good - 2.0
  • Methodological appropriateness and consistency: Fair - 3.0
  • Precision: Good - 2.0
  • Geographical representativeness: Good - 2.0
  • Time representativeness: Very good - 1.0
  • Technological representativeness: Good - 2.0
The dataset is compliant with all the following standards: PEF/OEF implementation, mandatory data 2016-2020; ILCD Data Network, Compliance rules and entry-level requirements; ISO 14040 and ISO 14044 The dataset is also structured respecting requirements listed in the following documents/ correspondence: ILCD, Documentation of LCA data sets; Tender Specifications \xe2\x80\x93 Provision of \xe2\x80\x9cchemicals\xe2\x80\x9d process-based product environmental footprint-compliant life cycle inventory datasets (ENV.B.1/SER/2016/0038vl); The dataset also fulfills all the requirements specified by the European Commission (Directorate B, Unit B.1) during the data collection via e-mail or telephone conversations The representativeness of the dataset and its supply chain regarding geography, technology and time is clearly stated in the dataset. The data used to model the activity in given geography, technology and time are best available and are considered adequate representation of the production in real life. The overall completeness of the inventory is on a very high level. Both the foreground activity as well as the background activities are well established and report well all the relevant products used and emissions released. All the reported exchanges cover well the relevant impact categories. The dataset documentation is reflecting what has been modelled and is appropriate in terms of content and level of detail. It is always clear what type of production the dataset represents. The precision of the data is good, given some uncertainties of measured and reported data for some emissions. The key parameters crucial for the final LCIA results have been cross-referenced by information from other sources demonstrating their plausibility. The LCIA results are plausible. The inventory was reviewed both on the unit process (UPR) level as well as the LCI level. The balances \xe2\x80\x93 dry mass, wet mass, carbon - have been used to confirm the correctness of the modelling. The LCIA scores of all datasets for all the ILCD methods have been reviewed. The new LCIA scores of datasets which already existed in the ecoinvent version 3.3 database were compared with the old ones. The LCIA results of all the products for which activities were created were also compared with each other. There are no intentional cut-offs in the inventory no matter how small their contribution to all the ILCD impact categories is. Every known elementary and intermediate exchange is listed. The elementary and intermediate exchanges included in the inventory reflect very well all the process steps included within the system boundaries of the activity as described in the documentation. All the other modelling choices, such as allocation and regionalized water exchanges are modelled according to PEF specifications. The end-of-life is modelled following the cut-off by classification ecoinvent system model. In the PEF context the field 'Methodological appropriateness and consistency' applies solely to the criteria for implementation of the defined EoL formula.
Subsequent review comments
Reviewer name and institution Complete review report
No records found.
Type of review Scope / Method(s) of review Data quality indicators Review details
Dependent internal review
Scope name Method name
Raw data
  • Energy balance
  • Cross-check with other source
  • Validation of data sources
  • Mass balance
  • Element balance
  • Expert judgement
  • Sample tests on calculations
  • Documentation
LCIA results
  • Cross-check with other source
  • Expert judgement
  • Cross-check with other data set
Documentation
  • Compliance with ISO 14040 to 14044
  • Expert judgement
Unit process(es), black box
  • Energy balance
  • Cross-check with other source
  • Cross-check with other data set
  • Validation of data sources
  • Mass balance
  • Element balance
  • Expert judgement
  • Sample tests on calculations
  • Compliance with ISO 14040 to 14044
Life cycle inventory methods
  • Compliance with ISO 14040 to 14044
LCI results or Partly terminated system
  • Energy balance
  • Cross-check with other source
  • Cross-check with other data set
  • Validation of data sources
  • Mass balance
  • Element balance
  • Expert judgement
  • Sample tests on calculations
  • Compliance with ISO 14040 to 14044
Unit process(es), single operation
  • Energy balance
  • Cross-check with other source
  • Cross-check with other data set
  • Validation of data sources
  • Mass balance
  • Element balance
  • Expert judgement
  • Sample tests on calculations
  • Compliance with ISO 14040 to 14044
  • Documentation
  • Overall quality: Good - 2.0
  • Methodological appropriateness and consistency: Fair - 3.0
  • Precision: Good - 2.0
  • Geographical representativeness: Good - 2.0
  • Time representativeness: Very good - 1.0
  • Technological representativeness: Good - 2.0
The dataset is compliant with both the ISO 14040 and 14044 standards as well as the ILCD Data Network, Compliance rules and entry-level requirements. The documentation describes in adequate detail the type of activity modelled, data quality, modelling choices, system boundaries as well as other relevant information. The dataset represent activity modelled using the best available data from both primary and secondary sources. In the PEF context the field 'Methodological appropriateness and consistency' applies solely to the criteria for implementation of the defined EoL formula.
Subsequent review comments
Reviewer name and institution Complete review report
No records found.
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
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
Fully compliant
Commissioner and goal
Commissioner of data set
Project Provision of chemicals process-based product environmental footprint-compliant life cycle inventory datasets. Contract number ENV.A.1/SER/2016/0038vl
Intended applications This dataset is to be used only within the pilot projects of the PEF/OEF. The dataset and background data contain modeling choices and data sources that are not generally recommended for use in LCAs beyond the PEF/OEF pilot projects.
Data generator
Data set generator / modeller
Data entry by
Time stamp (last saved) 2017-05-13T02:00:00+01:00
Data set format(s)
Data entry by
Publication and ownership
UUID 6a377455-759c-4a39-a18f-6a0d58f14853
Date of last revision 2017-05-13T02:00:00+01:00
Data set version 03.00.002
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 Free of charge for all final users implementing the data in one of the 24 PEFCRs/OEFSRs developed during the Environmental Footprint pilot phase. The final users using this dataset must agree with and submit to the ecoinvent End User License Agreement - EULA \'ecoinvent Production of Chemicals datasets created for the EU Product Environmental Footprint (PEF) implementation 2016 - 2020\' of ecoinvent (www.ecoinvent.org). Any use of this dataset or any derivative data not within the specific context of one of the PEF/OEF pilot projects or after the end of 2020 is not permitted.
The access to the data set is restricted to metadata only. Ask the provider to get full access to the data set.
The access to the data set is restricted to metadata only. Ask the provider to get full access to the data set.