Reaction Mass Of Cis-1,4-bis[(vinyloxy)methyl]cyclohexane And Trans-1,4-bis[(vinyloxy)methyl]cyclohexane
fo-ed39c6681253445e
Identity
- Type
- Neutral molecule
- CAS
- 17351-75-6
- EC
- 413-370-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 1,4-Bis[(ethenyloxy)methyl]cyclohexane
- 1,4-Bis[(vinyloxy)methyl]cyclohexane
- 1,4-Cyclohexanedimethanol divinyl ether
- 1,4-Cyclohexanedimethyl divinyl ether
- CHDVE
- Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-
- Cyclohexane, 1,4-bis[(vinyloxy)methyl]-
- Rapi-Cure CHVE
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DQNSRQYYCSXZDF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2 |
| IUPAC name chemrof:IUPAC_name | 1,4-Bis[(ethenyloxy)methyl]cyclohexane |
| Molecular formula chemrof:molecular_formula | C12H20O2 |
| Molecular mass chemrof:molecular_mass | 196.29 |
| Monoisotopic mass chemrof:monoisotopic_mass | 196.14633 |
| SMILES string chemrof:smiles_string | C=COCC1CCC(COC=C)CC1 |
Known URLs
9Where 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=151543-64-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=17351-75-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.101.261 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0044604 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183650 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.099.347B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J468.362E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3437285 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72459686 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a160afa0-3dd4-4a58-82bc-712bb94112ca | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 06f69a43-708e-40f2-b3da-f22b20fc0cc7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 4a6d861c-ebb7-4956-b60b-cca2910a0597 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8514c8c4-35a5-4b48-b1d6-99a9ac14d9ac | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c3552169-39fb-4133-b720-714c3883daef | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 134d36a2-7496-45c6-a9ea-5f69b1ee96f1 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 35ad5802-a64e-414c-8291-346feb9df59f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| eca4d3c5-db34-47bb-9a20-0b666bf8af61 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a5998e-7b96-4af0-afd4-10bbfa3b41e9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5b30cf3f-ed95-4656-a570-ffc53d5d1439 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4b734090-1e9c-43f6-9bf2-bff6f5e63c23 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bb4565b4-a0ac-4d57-a0e4-aa7698b5fe78 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0f9e255a-053c-4914-8360-ccac9ecd3400 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-ed39c6681253445e",
"prefLabel": [
{
"@value": "Reaction Mass Of Cis-1,4-bis[(vinyloxy)methyl]cyclohexane And Trans-1,4-bis[(vinyloxy)methyl]cyclohexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,4-Bis[(ethenyloxy)methyl]cyclohexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis[(vinyloxy)methyl]cyclohexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Cyclohexanedimethanol divinyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Cyclohexanedimethyl divinyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CHDVE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclohexane, 1,4-bis[(vinyloxy)methyl]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Rapi-Cure CHVE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17351-75-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H20O2"
],
"attested_by": {
"C12H20O2": [
"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:3437285"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DQNSRQYYCSXZDF-UHFFFAOYSA-N"
],
"attested_by": {
"DQNSRQYYCSXZDF-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:3437285"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=COCC1CCC(COC=C)CC1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-Bis[(ethenyloxy)methyl]cyclohexane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
],
"attested_by": {
"C=COCC1CCC(COC=C)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/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-Bis[(ethenyloxy)methyl]cyclohexane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
],
"attested_by": {
"InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,4-Bis[(ethenyloxy)methyl]cyclohexane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-Bis[(ethenyloxy)methyl]cyclohexane"
]
},
"attested_by": {
"1,4-Bis[(ethenyloxy)methyl]cyclohexane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
196.29
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(CC1)COC=C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
],
"attested_by": {
"196.29": [
"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": [
196.14633
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(CC1)COC=C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=COCC1CCC(COC=C)CC1"
]
}
],
"attested_by": {
"196.14633": [
"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=J2.099.347B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J468.362E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.101.261",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=151543-64-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0044604",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3437285",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[17351-75-6]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183650",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72459686",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3437285;CAS:17351-75-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17351-75-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06f69a43-708e-40f2-b3da-f22b20fc0cc7",
"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": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"17351-75-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=17351-75-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"413-370-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=413-370-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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