Consensus flow list

Identity

Type
Neutral molecule
CAS
1126-79-0
EC
214-426-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for N-butyl Phenyl Ether

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YFNONBGXNFCTMM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
IUPAC name chemrof:IUPAC_name 1-Phenoxybutane
Molecular formula chemrof:molecular_formula C10H14O
Molecular mass chemrof:molecular_mass 150.221
Monoisotopic mass chemrof:monoisotopic_mass 150.104465
SMILES string chemrof:smiles_string CCCCOc1ccccc1

Known URLs

8

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=1126-79-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.115 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0022149 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8467 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H804A5426K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.445K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14311 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279741 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
63da97d2-759d-40e2-8c88-6d2ac8356346 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9c497c00-d60f-49ef-ba64-f709a9e4733b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d5ac66d1-0b38-4a39-b89a-62f74aedd4dd Environmental → Air → Indoor EF 3.1 kg 2
a284ef20-0d65-4e78-b22a-261fda8989a7 Environmental → Air → Long-term EF 3.1 kg 0
4a2309d0-c503-44f2-98f4-a19e40ad0251 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2f165004-beef-45ae-9c4a-54ea641626bc Environmental → Air → Unknown EF 3.1 kg 2
fde6b2cd-994c-4450-be50-1cf684c79417 Environmental → Ground → Agricultural EF 3.1 kg 2
f5e1ec69-e0e1-4d7b-8012-106077513d5f Environmental → Ground → Non-agricultural EF 3.1 kg 2
2a1eb6fe-d436-4868-944f-7f342367588e Environmental → Ground → Unknown EF 3.1 kg 2
f4b2f6f2-4030-4ef8-aee2-6122791ee33f Environmental → Water → Long-term EF 3.1 kg 0
8d4752ca-5051-444b-b3cc-3d76685d2c17 Environmental → Water → Ocean EF 3.1 kg 2
d2f8c374-6c13-4598-bb25-64ec47d47e7b Environmental → Water → Surface water EF 3.1 kg 2
90a96314-ae12-4aaa-bd4d-d4ca506bad16 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7c8f3b835fc78122",
  "prefLabel": [
    {
      "@value": "N-butyl Phenyl Ether",
      "@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-Phenoxybutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-79-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, butoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-79-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-79-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyl phenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:1126-79-0",
          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyloxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ether, butyl phenyl",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenyl butyl ether",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=1126-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenyl n-butyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=1126-79-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C10H14O"
      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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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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      ],
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        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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        {
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          "prov:hadPrimarySource": [
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      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "1-Phenoxybutane": [
          "opsin_iupac"
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        150.221
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
        {
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        },
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      "attested_by": {
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      },
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    }
  },
  "references": [
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}

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