Dimethyl 1,4-cyclohexane Dicarboxylate
5ef74d8b-4e54-4e97-830e-3e5f8b1504ed
Identity
- Substance
- fo-016577a9042194f0 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 94-60-0
- EC
- 202-347-5
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
Alternative labels
6- 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester
- 1,4-Cyclohexanedicarboxylic acid, dimethyl ester
- 1,4-Cyclohexanedicarboxylic dimethyl ester
- 1,4-Dimethyl cyclohexane-1,4-dicarboxylate
- Dimethyl 1,4-cyclohexanedicarboxylate
- Dimethyl hexahydroterephthalate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 5ef74d8b-4e54-4e97-830e-3e5f8b1504ed | dimethyl 1,4-cyclohexane dicarboxylate | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 5ef74d8b-4e54-4e97-830e-3e5f8b1504ed | dimethyl 1,4-cyclohexane dicarboxylate | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 39.665 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 39.665 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 39.665 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 39.665 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 9.6932e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 9.6932e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 9.6932e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 9.6932e-08 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Cyclohexanedicarboxylic acid, dimethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Cyclohexanedicarboxylic dimethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Dimethyl cyclohexane-1,4-dicarboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethyl 1,4-cyclohexanedicarboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethyl hexahydroterephthalate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94-60-0",
"https://commonchemistry.cas.org/detail?cas_rn=94-60-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H16O4"
],
"attested_by": {
"C10H16O4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LNGAGQAGYITKCW-UHFFFAOYSA-N"
],
"attested_by": {
"LNGAGQAGYITKCW-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COC(=O)C1CCC(C(=O)OC)CC1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dimethyl 1,4-cyclohexane Dicarboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
],
"attested_by": {
"COC(=O)C1CCC(C(=O)OC)CC1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dimethyl 1,4-cyclohexane Dicarboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
],
"attested_by": {
"InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Dimethyl 1,4-cyclohexane Dicarboxylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Dimethyl 1,4-cyclohexane Dicarboxylate"
]
},
"attested_by": {
"Dimethyl 1,4-cyclohexane Dicarboxylate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
200.234
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(CC1)C(=O)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
],
"attested_by": {
"200.234": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
200.104859
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(CC1)C(=O)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COC(=O)C1CCC(C(=O)OC)CC1"
]
}
],
"attested_by": {
"200.104859": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.191B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J785.082D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J785.083B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.134",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.127.319",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.203.320",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=94-60-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"94-60-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1029255",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3026566",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=76564",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35IVG3419I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YS87MDS0ZV",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7198",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[94-60-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1894902",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186827",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72469677",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7198;CAS:94-60-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94-60-0]"
}
}
],
"prefLabel": [
{
"@value": "Dimethyl 1,4-cyclohexane Dicarboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "5ef74d8b-4e54-4e97-830e-3e5f8b1504ed",
"identifier": "5ef74d8b-4e54-4e97-830e-3e5f8b1504ed",
"source": "EF 3.1",
"cas_numbers": [
"94-60-0"
],
"ec_numbers": [
"202-347-5"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Medium stack, <150 meters",
"population_density": "Rural (<1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 39.665
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 9.6932e-8
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 9.6932e-8
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 39.665
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-016577a9042194f0",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/5ef74d8b-4e54-4e97-830e-3e5f8b1504ed",
"skos:prefLabel": "dimethyl 1,4-cyclohexane dicarboxylate",
"context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/5ef74d8b-4e54-4e97-830e-3e5f8b1504ed"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/5ef74d8b-4e54-4e97-830e-3e5f8b1504ed"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"94-60-0": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "dimethyl 1,4-cyclohexane dicarboxylate",
"synonyms": [
"organic",
"dimethylcyclohexane-1,4-dicarboxylate"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to non-urban air or from high stacks"
],
"cas_numbers": [
"94-60-0"
],
"ec_numbers": [
"202-347-5"
],
"unit": "kg"
}
}