README for ECHA_matrix

The ECHA_matrix file is a Collection of data from the ECHA public database (found at https://echa.europa.eu/information-on-chemicals as of 21.5.2925) on so called "platform chemicals". The data was surveyed in the context of the masterthesis "Survey of Green Platform Chemicals", to evaluate their potential Hazards to human health and the environment  based on publicly available information. 
The data published by ECHA is submitted by importers/manufacturers of chemicals within in the EU for substances imported/manufactured above 1 ton to the European Chemicals Agency (ECHA). 
The list was compiled by screening scientific literature for substances called "platform chemicals", "platform molecules" and "building blocks" as there is no agreed on definition of platform chemicals. If a substance was called one of these three Terms AND the same article proposes or discusses a production pathway based on renewable resources, the substance was included.

All data surveyed is publicly available on ECHA's Website (www.echa.europa.eu). The survey was conducted until 30.6.2024.

The data surveyed includes Information on the substance identities, harmonized and notified classifications, regeistration Status, entries in the Public Activity Tool (PACT), Regulatory Obligations other than REACH (Restriction, Evaluation, Authorisation and Restriction of Chemicals Regulation, EU 1907/2006) and potential future categorizations of he substance based on REACH, the Chemical Startegy for Sustainability (CSS) of the European Union and the Ecodesign for Sustainable Products Regulation (EU 2024/1781). Substances not found in ECHA's database are found in the file and have a "not found" entry in colummn "Other Names"

The substance identities include the following colummns:
	Name: The name for a substance used in the literature suggesting it.
	Other names: Other names for the substance listed in ECHA's database.
	EC No: Identifying number of the exact substance assigned by ECHA
	CAS No: Identifying number of the exact substance assigned by the Chemical Abstracts Services
	CAS No (R)/(S): CAS No. for specific Stereoisomer
	Molecular Formula
	Structural Formula: Structural Formula provided by ECHA in the database
	Type of substance: Identifies if a substance is registered as: 
		pure substance (mono)
		racemic mixture (multi) 
		substances of Unknown or Variable composition, Complex reaction products or Biological materials (UVCB)
	Smiles Notation
	Molecular Weight

Harmonised classifications:
	C: Harmonised classification as cancerogenic, categories 1-2 are specified
	M: Harmonised classification as mutagenic, categories 1-2 are specified
	R: Harmonised classification as reprotoxic, categories 1-2 are specified
	other endpoints: harmonized classifications for all other Hazard endpoints, endpoints and categories are specified

Notifed classifications:
	C: Notified classification as cancerogenic, categories 1-2 are specified
	M: Notified classification as mutagenic, categories 1-2 are specified
	R: Notified classification as reprotoxic, categories 1-2 are specified
	other endpoints: harmonized classifications for all other Hazard endpoints, endpoints and categories are specified
	total number of notifiers: sum of all notifiers
	number of aggregated notifications: sum of all single notifications

Registration:
	full: is the substance fully registered at ECHA, yes or no
	intermediate: is the substance registered as an intermediate by a registrant at ECHA, yes or no
	Tonnage band: in which quantity [t] is the substance imported/produced within the EU

PACT:
	DEV (Dossier Evaluation): Evaluation of the dossier sent to ECHA by the registrant(s); status, latest update (date)
	SEV (Substance Evaluation): Evaluation of a substance by a member states authorities (EU); Status, latest update, authority
	CLH (Classification and Labelling: Registry of Classification and Labelling intentions for new or revised harmonised classifcations; Status, latest update, authority
	SVHC (Substance of Very High Concern): Registry of intentions to categorize a substance as SVHC; status, latest update, submitter
	Recom (Recommendation for the inclusion in the Authorisation list): Recommendations from ECHA to include a substance from the candidates list in Annex XIV. Substances listed need to be authorised for each use; status
	Restriction: Registry of restriction intentions until outcome. Substance use is restricted to certain uses; status
	ED (Endocrine Disruptor Assessment): List of susbtances undergoing endocrine disruptor assessement brought for discussion by ECHA's ED Expert Group; status, latest update, authorities
	PBT (Persistence, Bioaccumulation and Toxicity): List of substances undergoing a PBT/vPvB assessment brought for discussion by ECHA's PBT Expert group; status, latest update, authorities
	ARN (Assessment of regulatory needs): List of substances on which assessment of regulatory needs has been completed or is under development; authority, (suggested) follow-up, GMT # (identifying number for substance group)
Regulatory Obligations (other than REACH):
	red flags: regulations in which a ban or limit for substance is found
	orange flags: regulations in which a limit for a substance is found

Potential Future Categorisations - does a substance fulfill the definition to be categorised as SVHC (substance of very high concern, REACH), MHC (most harmful chemical, Ecodesign for sustainable Products Regulation) or SOC (substance of concern, Chemical Strategy for Sustainability) based on harmonised or notified classifications or PMT/vPvM Analysis by the German Bundesamt (Prioritised PMT/vPvM substances in the REACH registration database, 2023) or inclusion in the POP Regulation (EU 2019/1021):
	SVHC (harmonised/self reported): yes or no
	SOC (harmonised/self reported/PMT or vPvM/POP regulation): yes or no
	MHC (harmonised/self reported): yes or no
	