Consensus flow list

Identity

Type
NeutralMolecule
CAS
14543-49-8
EC
604-471-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,6-octadiene, 8-methoxy-

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MIJJHRIQVWIQGL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3
IUPAC name chemrof:IUPAC_name 1,6-octadiene, 8-methoxy-
Molecular formula chemrof:molecular_formula C9H16O
Molecular mass chemrof:molecular_mass 140.226
Monoisotopic mass chemrof:monoisotopic_mass 140.120115
SMILES string chemrof:smiles_string C=CCCCC=CCOC

Known URLs

4

Where 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=14543-49-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401035969 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/535026 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82103857 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
002316be-095f-4d33-a67f-05f4515dbbf3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6e4324e7-c814-4ba0-9246-d2a0243ea767 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
98d69439-34de-47b7-96d1-36edcd292cd1 Environmental → Air → Indoor EF 3.1 kg 4
ba721d40-e276-4a2b-892d-75d7496751a9 Environmental → Air → Long-term EF 3.1 kg 0
482cdcc8-f3c0-4f2d-acd4-4d170bcf1d3a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1bd4f96a-31c6-41fe-af85-10e96bedab45 Environmental → Air → Unknown EF 3.1 kg 4
147b27cf-6095-4074-8790-04b4edb82aaf Environmental → Ground → Agricultural EF 3.1 kg 4
62eff09c-70f2-41fc-a22f-c6e59c5811f0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
977a5162-e0ba-44fa-9ad3-41ef5dccf5b5 Environmental → Ground → Unknown EF 3.1 kg 4
ea984712-48af-4c47-afcd-674121ef07d0 Environmental → Water → Long-term EF 3.1 kg 0
466cd62a-887a-4e0b-ada8-acef57d61b28 Environmental → Water → Ocean EF 3.1 kg 4
82a38506-4fcc-4d69-8026-c320d61529a9 Environmental → Water → Surface water EF 3.1 kg 4
dec76f85-0c37-472f-ab77-d69c3017338c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b8d317ec3562dbd1",
  "prefLabel": [
    {
      "@value": "1,6-octadiene, 8-methoxy-",
      "@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-Methoxy-2,7-octadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14543-49-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,7-Octadienyl methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8-Methoxy-1,6-octadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14543-49-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ether, methyl 2,7-octadienyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 2,7-octadienyl ether",
      "@language": "en",
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  ],
  "properties": {
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        "C9H16O"
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        {
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    },
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        "MIJJHRIQVWIQGL-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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        },
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,6-octadiene, 8-methoxy-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "140.226": [
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        ]
      },
      "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": [
        140.120115
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "140.120115": [
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          "rdkit_pre_consensus"
        ]
      },
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    }
  },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "002316be-095f-4d33-a67f-05f4515dbbf3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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