Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)
fo-82044659d29a977a
Identity
- Type
- Neutral molecule
- CAS
- 109-16-0
- EC
- 203-652-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
25- 1,2-Bis[2-(methacryloyloxy)ethoxy]ethane
- 2-[2-[2-(2-Methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
- 2-Propenoic acid, 2-methyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
- 2-Propenoic acid, 2-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
- Acryester 3ED
- Bisomer TEGDMA
- Blemmer PDE 150
- Esschem 943X7469
- Ethylenebis(oxyethylene) methacrylate
- Light Ester 3EG
- Luvomaxx TEDMA
- Methacrylic acid, diester with triethylene glycol
- Methacrylic acid, ethylenebis(oxyethylene) ester
- Miramer M 233
- Neomer PM 20
- Neomer PM 201
- Newfrontier NF Bisomer TEGDMA
- NK Ester 3G
- Sartomer SR 205
- Sartomer SR 205H
- SR 205NS
- TEDMA
- TEGDMA
- TGM 3PC
- Triethylene glycol dimethacrylate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HWSSEYVMGDIFMH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3 |
| IUPAC name chemrof:IUPAC_name | Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate) |
| Molecular formula chemrof:molecular_formula | C14H22O6 |
| Molecular mass chemrof:molecular_mass | 286.324 |
| Monoisotopic mass chemrof:monoisotopic_mass | 286.141638 |
| SMILES string chemrof:smiles_string | C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C |
Known URLs
11Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=109-16-0 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25101-31-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.321 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3029607 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84260 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187544 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/14I47YJ5EY | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244334 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J77.220H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7979 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27251632 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 874a5be0-8008-4901-bfd8-2c6813b1ce2d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 6b682a39-4d46-4e34-acff-a5a0f86861c3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d186af7f-797e-44a2-ae9a-4ff66f11f6c7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ca329682-b86f-4d99-b7c0-d170d7f05422 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3dde8e83-2894-482b-af74-9058d3e72590 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e5beb389-1389-4f33-a094-f9dddfe77c2a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 52faa074-7cd3-40c0-9048-d7780bee2096 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1e952d1d-5d87-4c71-8f9b-87b614faeadf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f04af8bd-b552-4500-a8b4-76db21ba6cd1 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 940b6ab7-950e-4f07-927f-7a2c2753e05e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8cca986e-f0c7-488e-bd11-95aec227da55 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| af8dc67c-0c06-466a-9aa8-dc398b7045e3 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9a631a50-55e7-4a83-ba46-083d13af90cb | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-82044659d29a977a",
"prefLabel": [
{
"@value": "Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,2-Bis[2-(methacryloyloxy)ethoxy]ethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[2-[2-(2-Methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, 2-methyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, 2-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acryester 3ED",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bisomer TEGDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Blemmer PDE 150",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Esschem 943X7469",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylenebis(oxyethylene) methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Light Ester 3EG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Luvomaxx TEDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methacrylic acid, diester with triethylene glycol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methacrylic acid, ethylenebis(oxyethylene) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Miramer M 233",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Neomer PM 20",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Neomer PM 201",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Newfrontier NF Bisomer TEGDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester 3G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 205",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 205H",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 205NS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TEDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TEGDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TGM 3PC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triethylene glycol dimethacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:109-16-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H22O6"
],
"attested_by": {
"C14H22O6": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HWSSEYVMGDIFMH-UHFFFAOYSA-N"
],
"attested_by": {
"HWSSEYVMGDIFMH-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
],
"attested_by": {
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
],
"attested_by": {
"InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)"
]
},
"attested_by": {
"Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-methylacrylate)": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
286.324
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
],
"attested_by": {
"286.324": [
"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": [
286.141638
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C"
]
}
],
"attested_by": {
"286.141638": [
"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=J77.220H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.003.321",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=109-16-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"109-16-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25101-31-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3029607",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84260",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/14I47YJ5EY",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0244334",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7979",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[109-16-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187544",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27251632",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7979;CAS:109-16-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[109-16-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1e952d1d-5d87-4c71-8f9b-87b614faeadf",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"109-16-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=109-16-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"203-652-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=203-652-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works