1,1'-ethane-1,1-diyldibenzene

(Phenylethyl)benzene
Benzene, (phenylethyl)-
Diphenylethane
Ethane, diphenyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BSZXAFXFTLXUFV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
IUPAC name chemrof:IUPAC_name	1-phenylethylbenzene
Molecular formula chemrof:molecular_formula	C14H14
Molecular mass chemrof:molecular_mass	182.266
Monoisotopic mass chemrof:monoisotopic_mass	182.10955
SMILES string chemrof:smiles_string	CC(C1=CC=CC=C1)C2=CC=CC=C2

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=38888-98-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.049.237	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.219.390	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6041218	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33534	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9813FDC9QO	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.354I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11918	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q9545624	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
efa8eb26-dca7-46d2-9651-ce8e860788fa	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
5f725ce5-ab10-42a8-803e-68c53db1314b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
be12b8d4-fa6d-48e4-af40-b0c2f7731550	Environmental → Air → Indoor	EF 3.1	kg	4
1216fd7e-4cd8-4e1e-86d5-cafbf0e25888	Environmental → Air → Long-term	EF 3.1	kg	0
e9c151d8-9bfd-4501-9dec-bf4754efee8e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
2001d2e2-04eb-4d42-b410-bb52810efe92	Environmental → Air → Unknown	EF 3.1	kg	4
bdb528bf-8298-447d-a6e6-8ec0f6301f7e	Environmental → Ground → Agricultural	EF 3.1	kg	4
c223dcf6-7325-4b57-b95d-d053ff5c55b3	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
09412c13-1a61-4ffa-ab3a-f786f59b6bf1	Environmental → Ground → Unknown	EF 3.1	kg	4
c432261d-978c-4378-b439-23ff8a75308f	Environmental → Water → Long-term	EF 3.1	kg	0
8113e6f2-3506-4d05-b36d-04d66b7467cd	Environmental → Water → Ocean	EF 3.1	kg	4
21a3ae0b-fdec-4636-9b35-e94d4f53f874	Environmental → Water → Surface water	EF 3.1	kg	4
df835511-5bae-4223-b01a-eb91bbb4fed6	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (52 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-24a18d8350450c66",
  "prefLabel": [
    {
      "@value": "1,1'-ethane-1,1-diyldibenzene",
      "@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": "(Phenylethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38888-98-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, (phenylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38888-98-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diphenylethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38888-98-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethane, diphenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38888-98-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H14"
      ],
      "attested_by": {
        "C14H14": [
          "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:11918"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BSZXAFXFTLXUFV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BSZXAFXFTLXUFV-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:11918"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C1=CC=CC=C1)C2=CC=CC=C2"
      ],
      "attested_by": {
        "CC(C1=CC=CC=C1)C2=CC=CC=C2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11918"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3"
      ],
      "attested_by": {
        "InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11918"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-phenylethylbenzene"
      ],
      "attested_by": {
        "1-phenylethylbenzene": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        182.266
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ],
      "attested_by": {
        "182.266": [
          "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": [
        182.10955
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C1=CC=CC=C1)C2=CC=CC=C2"
          ]
        }
      ],
      "attested_by": {
        "182.10955": [
          "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=J22.354I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.049.237",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.219.390",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6041218",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33534",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9813FDC9QO",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11918",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[38888-98-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q9545624",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11918;CAS:38888-98-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38888-98-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "09412c13-1a61-4ffa-ab3a-f786f59b6bf1",
    "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": [
        "38888-98-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=38888-98-1"
        }
      ],
      "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": [
        "254-179-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=254-179-7"
      ],
      "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"
  ]
}

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

1,1'-ethane-1,1-diyldibenzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard