1,4-dioxacyclohexadecane-5,16-dione
fo-dc675ab5c9ed1d03
Identity
- Type
- Neutral molecule
- CAS
- 54982-83-1
- EC
- 259-423-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- Arova N
- Cyclic ethylene dodecanedioate
- Ethylene dodecanedioate
- Musk C-14
- Zenolide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GJJSUPSPZIZYPM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2 |
| IUPAC name chemrof:IUPAC_name | 1,4-dioxacyclohexadecane-5,16-dione |
| Molecular formula chemrof:molecular_formula | C14H24O4 |
| Molecular mass chemrof:molecular_mass | 256.342 |
| Monoisotopic mass chemrof:monoisotopic_mass | 256.167459 |
| SMILES string chemrof:smiles_string | O=C1CCCCCCCCCCC(=O)OCCO1 |
Known URLs
8Where 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=54982-83-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.054.003 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1044568 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186723 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NBW53A4P49 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J52.364J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/41270 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27284781 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 31609910-a510-41d9-a3e1-dc988179ed2b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 16b88152-34f6-4be9-b97d-132479c98068 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 221359d2-f22e-4eea-9503-c39ff7de7607 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b89dd0f0-1b2a-41b6-90cb-af0a6da63ded | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fd0fd3d9-a2fc-4daf-b724-3d2b3c81beeb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 09eb81f6-e079-4a23-b881-645057ff0a23 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| b7747bf8-248b-4e4c-873b-2bffaa37c5c9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d2170245-9e2a-4293-88b8-8a6551e5aff3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 94f1178c-8e00-46de-8050-fd8d69db4658 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 69f6a98f-bbff-4e60-a925-fa7991ea9e65 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 929b7698-85cb-44f9-b50b-61ee12ad7656 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 12a4fbb0-1f9b-4e20-b5e3-97dd209e7881 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 78663743-c80c-4c58-b283-cd7d4915c904 | 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-dc675ab5c9ed1d03",
"prefLabel": [
{
"@value": "1,4-dioxacyclohexadecane-5,16-dione",
"@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": "Arova N",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:54982-83-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclic ethylene dodecanedioate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:54982-83-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylene dodecanedioate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:54982-83-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Musk C-14",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:54982-83-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zenolide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:54982-83-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H24O4"
],
"attested_by": {
"C14H24O4": [
"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:41270"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GJJSUPSPZIZYPM-UHFFFAOYSA-N"
],
"attested_by": {
"GJJSUPSPZIZYPM-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:41270"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-dioxacyclohexadecane-5,16-dione"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
],
"attested_by": {
"O=C1CCCCCCCCCCC(=O)OCCO1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-dioxacyclohexadecane-5,16-dione"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
],
"attested_by": {
"InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2": [
"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-dioxacyclohexadecane-5,16-dione"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-dioxacyclohexadecane-5,16-dione"
]
},
"attested_by": {
"1,4-dioxacyclohexadecane-5,16-dione": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
256.342
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCCCCC(=O)OCCOC(=O)CCCC1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
],
"attested_by": {
"256.342": [
"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": [
256.167459
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCCCCC(=O)OCCOC(=O)CCCC1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1CCCCCCCCCCC(=O)OCCO1"
]
}
],
"attested_by": {
"256.167459": [
"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=J52.364J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.054.003",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=54982-83-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"54982-83-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1044568",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NBW53A4P49",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/41270",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[54982-83-1]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186723",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27284781",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:41270;CAS:54982-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[54982-83-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "09eb81f6-e079-4a23-b881-645057ff0a23",
"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": [
"54982-83-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=54982-83-1"
}
],
"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": [
"259-423-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=259-423-6"
],
"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