Esterification Product Of Tricyclo[5.2.1.0~2,6~]decane Dimethanol And Prop-2-enoic Acid
bccde1bd-51c5-4036-91e5-5c03f40b01eb
Identity
- Substance
- fo-a07f385f53309a87 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 42594-17-2
- EC
- 255-901-3
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
40- (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) diacrylate
- 2-Propenoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester
- 2-Propenoic acid, 1,1′-[(octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene)] ester
- 2-Propenoic acid, [octahydro-4,7-methano-1H-indene-1,5(1,6 or 2,5)diyl]bis(methylene) ester
- A-DCP
- Aronix M 203
- Aronix M 203S
- Bis(acryloyloxymethyl)tricyclo[5.2.1.02,6]decane
- Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane diacrylate
- DCP-A
- DCPDA
- Dicyclopentadienedimethanol diacrylate
- Dicyclopentyldimethylene diacrylate
- Dimethyloldicyclopentane diacrylate
- Dimethyloltricyclodecane diacrylate
- Ebecryl IRR 214K
- Kayarad DCP-A
- Kayarad R 584
- Kayarad R 654
- Kayarad R 684
- Light Acrylate A-DCP
- Light Acrylate DCP-A
- Miramer M 262
- NK Ester A-DCP
- NK Ester A-DCP-L
- NK Ester DCP-A
- SR 833NS
- SR 833SX
- Sartomer SR 833
- Sartomer SR 833S
- Sinfony Activator
- Sinfony dentin
- TCDDA
- Tricyclo[5.2.1.0 2,6]decane-2,6-diacrylate
- Tricyclo[5.2.1.02,6]decanedimethanol diacrylate
- Tricyclo[5.2.1.02′6]decanedimethanol diacrylate
- Tricyclodecanedimethanol diacrylate
- Yupimer SA 1002
- Yupimer UV-SA 1002
- Yupimer UV-SA 1002N
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | bccde1bd-51c5-4036-91e5-5c03f40b01eb | esterification product of tricyclo[5.2.1.0~2,6~]decane dimethanol and prop-2-enoic acid | 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 | bccde1bd-51c5-4036-91e5-5c03f40b01eb | esterification product of tricyclo[5.2.1.0~2,6~]decane dimethanol and prop-2-enoic acid | Emissions/Emissions to water/Emissions to water, unspecified | 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 | — | 23,243 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 23,243 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 23,243 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 23,243 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 4.1160e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 4.1160e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 4.1160e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 4.1160e-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": "(Octahydro-4,7-methano-1H-indenediyl)bis(methylene) diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, 1,1′-[(octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene)] ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, [octahydro-4,7-methano-1H-indene-1,5(1,6 or 2,5)diyl]bis(methylene) ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "A-DCP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aronix M 203",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aronix M 203S",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(acryloyloxymethyl)tricyclo[5.2.1.02,6]decane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DCP-A",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DCPDA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dicyclopentadienedimethanol diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dicyclopentyldimethylene diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethyloldicyclopentane diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethyloltricyclodecane diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ebecryl IRR 214K",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayarad DCP-A",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayarad R 584",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayarad R 654",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayarad R 684",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Light Acrylate A-DCP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Light Acrylate DCP-A",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Miramer M 262",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester A-DCP",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester A-DCP-L",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester DCP-A",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 833NS",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 833SX",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 833",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 833S",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sinfony Activator",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sinfony dentin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TCDDA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tricyclo[5.2.1.0 2,6]decane-2,6-diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tricyclo[5.2.1.02,6]decanedimethanol diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tricyclo[5.2.1.02′6]decanedimethanol diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tricyclodecanedimethanol diacrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Yupimer SA 1002",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Yupimer UV-SA 1002",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Yupimer UV-SA 1002N",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42594-17-2",
"https://commonchemistry.cas.org/detail?cas_rn=42594-17-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C18H24O4"
],
"attested_by": {
"C18H24O4": [
"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:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC1C2CC(C1COC(=O)C=C)C3C2CCC3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PHBAKVPDAOWHDH-QUFRNCFNSA-N",
"VEBCLRKUSAGCDF-KRVFBJBGSA-N"
],
"attested_by": {
"PHBAKVPDAOWHDH-QUFRNCFNSA-N": [
"enrich_references.pubchem_semantic"
],
"VEBCLRKUSAGCDF-KRVFBJBGSA-N": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C=CC(=O)OCC1C(COC(=O)C=C)C2CC1C1CCCC12",
"C=CC(=O)OCC1CC2CC1C1CCC(COC(=O)C=C)C21"
],
"attested_by": {
"C=CC(=O)OCC1C2CC(C1COC(=O)C=C)C3C2CCC3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C": [
"enrich_references.pubchem_semantic"
],
"C=CC(=O)OCC1[C@@H]2C[C@H](C1COC(=O)C=C)C3C2CCC3": [
"enrich_references.pubchem_semantic"
],
"C=CC(=O)OC[C@H]1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(CC3)COC(=O)C=C": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC1C2CC(C1COC(=O)C=C)C3C2CCC3"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC1[C@@H]2C[C@H](C1COC(=O)C=C)C3C2CCC3",
"C=CC(=O)OC[C@H]1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(CC3)COC(=O)C=C"
],
"prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2",
"InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2/t11?,12-,13+,14+,15-,18-/m0/s1",
"InChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2",
"InChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2/t11?,12?,13-,14+,15?,16?"
],
"attested_by": {
"InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2": [
"enrich_references.pubchem_semantic"
],
"InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2/t11?,12-,13+,14+,15-,18-/m0/s1": [
"enrich_references.pubchem_semantic"
],
"InChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"InChI=1S/C18H24O4/c1-3-17(19)21-9-15-13-8-14(12-7-5-6-11(12)13)16(15)10-22-18(20)4-2/h3-4,11-16H,1-2,5-10H2/t11?,12?,13-,14+,15?,16?": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC1C2CC(C1COC(=O)C=C)C3C2CCC3"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-propenoic acid [(1R,2S,6R,7R,8S)-8-(1-oxoprop-2-enoxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"2-propenoic acid [(1S,7R)-9-(1-oxoprop-2-enoxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"2-propenoic acid [8-(1-oxoprop-2-enoxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"2-propenoic acid [9-(1-oxoprop-2-enoxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"[(1R,2S,6R,7R,8S)-8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate",
"[(1S,7R)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate",
"[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate",
"[9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate",
"acrylic acid [(1R,2S,6R,7R,8S)-8-(acryloyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"acrylic acid [(1S,7R)-9-(acryloyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"acrylic acid [8-(acryloyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester",
"acrylic acid [9-(acryloyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester"
],
"attested_by": {
"2-propenoic acid [(1R,2S,6R,7R,8S)-8-(1-oxoprop-2-enoxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"2-propenoic acid [(1S,7R)-9-(1-oxoprop-2-enoxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"2-propenoic acid [8-(1-oxoprop-2-enoxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"2-propenoic acid [9-(1-oxoprop-2-enoxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"[(1R,2S,6R,7R,8S)-8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate": [
"enrich_references.pubchem_semantic"
],
"[(1S,7R)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate": [
"enrich_references.pubchem_semantic"
],
"[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate": [
"enrich_references.pubchem_semantic"
],
"[9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate": [
"enrich_references.pubchem_semantic"
],
"acrylic acid [(1R,2S,6R,7R,8S)-8-(acryloyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"acrylic acid [(1S,7R)-9-(acryloyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"acrylic acid [8-(acryloyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
],
"acrylic acid [9-(acryloyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl ester": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/isomeric_smiles_string": {
"rdfs:label": "isomeric smiles string",
"@value": [
"C=CC(=O)OCC1[C@@H]2C[C@H](C1COC(=O)C=C)C3C2CCC3",
"C=CC(=O)OC[C@H]1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(CC3)COC(=O)C=C"
],
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974",
"CID:16213668",
"CID:18716306",
"CID:167994135"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCC1C2CC(C1COC(=O)C=C)C3C2CCC3"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "smiles_string"
}
]
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J195.818F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.050.802",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=42594-17-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5044940",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EGF1C3CEO3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16213668",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16213668;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42594-17-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/167994135",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:167994135;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42594-17-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18716306",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:18716306;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42594-17-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3036974",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42594-17-2]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184120",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27277172",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3036974;CAS:42594-17-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42594-17-2]"
}
}
],
"prefLabel": [
{
"@value": "Esterification Product Of Tricyclo[5.2.1.0~2,6~]decane Dimethanol And Prop-2-enoic Acid",
"@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": "bccde1bd-51c5-4036-91e5-5c03f40b01eb",
"identifier": "bccde1bd-51c5-4036-91e5-5c03f40b01eb",
"source": "EF 3.1",
"cas_numbers": [
"42594-17-2"
],
"ec_numbers": [
"255-901-3"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"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": 23243.0
},
{
"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": 4.116e-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": 4.116e-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": 23243.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-a07f385f53309a87",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/bccde1bd-51c5-4036-91e5-5c03f40b01eb",
"skos:prefLabel": "esterification product of tricyclo[5.2.1.0~2,6~]decane dimethanol and prop-2-enoic acid",
"context": "Emissions/Emissions to water/Emissions to water, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/bccde1bd-51c5-4036-91e5-5c03f40b01eb"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/bccde1bd-51c5-4036-91e5-5c03f40b01eb"
},
"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": "link_flows_to_their_substance",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"42594-17-2": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "esterification product of tricyclo[5.2.1.0~2,6~]decane dimethanol and prop-2-enoic acid",
"synonyms": [
"organic",
"(octahydro-4,7-methano-1h-indenediyl)bis(methylene)diacrylate",
"miramerm262"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified"
],
"cas_numbers": [
"42594-17-2"
],
"ec_numbers": [
"255-901-3"
],
"unit": "kg"
}
}