Consensus flow list

Identity

Type
Neutral molecule
CAS
120-58-1
EC
204-410-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Isosafrole

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VHVOLFRBFDOUSH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
IUPAC name chemrof:IUPAC_name Isosafrole
Molecular formula chemrof:molecular_formula C10H10O2
Molecular mass chemrof:molecular_mass 162.188
Monoisotopic mass chemrof:monoisotopic_mass 162.06808
SMILES string chemrof:smiles_string CC=Cc1ccc2c(c1)OCO2

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=120-58-1 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020767 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184536 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253689 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8439 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q61738366 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9b6b560c-1d2d-492b-a9d6-1b734d679c93 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
3494cb6d-9b71-445c-be41-3705931cba2f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
2a9975d2-43fb-4b99-a424-47391fd0328e Environmental → Air → Indoor EF 3.1 kg 0
1c212077-1dff-438b-9b8b-b43e5e3e61cf Environmental → Air → Long-term EF 3.1 kg 0
a1a32b36-7bf0-492c-865c-06847ab51a2e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
b603eaac-8f61-443a-a87a-9384188d4f55 Environmental → Air → Unknown EF 3.1 kg 0
50c1d44c-42be-4abe-8afc-cfc28b286c95 Environmental → Ground → Agricultural EF 3.1 kg 0
fb87e771-6ea1-4d7a-bcb3-51a3f89ed9e3 Environmental → Ground → Non-agricultural EF 3.1 kg 0
6b8bcb71-a291-4d12-a59c-a656fc431878 Environmental → Ground → Unknown EF 3.1 kg 0
eed4b27b-c8f7-4a56-880b-13954c782b66 Environmental → Water → Long-term EF 3.1 kg 0
d6982abe-f8b2-46c5-a028-b395d8abb73c Environmental → Water → Ocean EF 3.1 kg 0
641ab28f-4875-4955-9508-a6c00465bdb6 Environmental → Water → Surface water EF 3.1 kg 0
6c100ca8-513e-4709-9b4a-12e7c7694e80 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7ac5bb81adef443d",
  "prefLabel": [
    {
      "@value": "Isosafrole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-58-1",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-(Methylenedioxy)-4-propenylbenzene",
      "@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=120-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzodioxole, 5-(1-propen-1-yl)-",
      "@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=120-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Benzodioxole, 5-(1-propenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-(Methylenedioxy)-1-propenylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-(1-Propen-1-yl)-1,3-benzodioxole",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "5-(Propen-1-yl)-1,3-benzodioxole",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "5-prop-1-enyl-1,3-benzodioxole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "6-(1-Propenyl)-1,3-benzodioxole",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-(methylenedioxy)-4-propenyl-",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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      "@value": [
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      },
      "rdfs:label": "Molecular formula",
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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": [
        {
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        },
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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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      ],
      "provenance": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
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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": {
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      "rdfs:label": "Monoisotopic mass",
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      "attested_by": {
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      },
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  },
  "references": [
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  "created_from": {
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    "seed_uuid": "1c212077-1dff-438b-9b8b-b43e5e3e61cf",
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    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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