Brightway Flows 1.0
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Cis,trans-hexa-2,4-diene

fo-5b14637742abdb55

Identity

Type
Neutral molecule
CAS
592-46-1
EC
209-757-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cis,trans-hexa-2,4-diene

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string APPOKADJQUIAHP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-Dimethyl-1,3-butadiene
Molecular formula chemrof:molecular_formula C6H10
Molecular mass chemrof:molecular_mass 82.146
Monoisotopic mass chemrof:monoisotopic_mass 82.07825
SMILES string chemrof:smiles_string CC=CC=CC

Known URLs

6

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=25702-29-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=592-46-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.872 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022069 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11600 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q115948035 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3f49edca-04cc-4084-81d2-f621f81222e9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3a752469-adb5-407f-be40-30129b86ac86 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c1bb150f-2c44-4fb5-a633-090aa237e061 Environmental → Air → Indoor EF 3.1 kg 2
54acc97a-585f-4d33-b35d-694ab05b5400 Environmental → Air → Long-term EF 3.1 kg 0
04ba047e-6f33-451f-86d1-36dfa312c39e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e926ae4b-7d61-4668-aea0-7b32d4bb9557 Environmental → Air → Unknown EF 3.1 kg 2
d4b80b0a-15d3-4a23-b8b2-198295a789fb Environmental → Ground → Agricultural EF 3.1 kg 2
8277e0de-7902-4f52-acf7-7ffbb34d7066 Environmental → Ground → Non-agricultural EF 3.1 kg 2
241b4290-0c9a-43b0-a5cc-8ab70656a39c Environmental → Ground → Unknown EF 3.1 kg 2
532749e8-cd04-401e-ae02-c3b5983872a3 Environmental → Water → Long-term EF 3.1 kg 0
f7193434-785d-41cc-9e0b-7f8a23bd9399 Environmental → Water → Ocean EF 3.1 kg 2
318c2b5d-c28b-4316-98db-952d3e776098 Environmental → Water → Surface water EF 3.1 kg 2
21bea0c9-2a58-4ec3-9da1-63ac7b131762 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5b14637742abdb55",
  "prefLabel": [
    {
      "@value": "Cis,trans-hexa-2,4-diene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dimethyl-1,3-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Dimethylbutadiene",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=592-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Hexadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=592-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bipropenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipropenyl",
      "@language": "en",
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  "properties": {
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "attested_by": {
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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": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "82.07825": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04ba047e-6f33-451f-86d1-36dfa312c39e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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