Consensus flow list

Identity

Type
Neutral molecule
CAS
4412-91-3
EC
224-570-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Furan-3-methanol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string STJIISDMSMJQQK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
IUPAC name chemrof:IUPAC_name Furan-3-methanol
Molecular formula chemrof:molecular_formula C5H6O2
Molecular mass chemrof:molecular_mass 98.101
Monoisotopic mass chemrof:monoisotopic_mass 98.036779
SMILES string chemrof:smiles_string OCc1ccoc1

Known URLs

9

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=4412-91-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.338 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70196045 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL440914 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6E4MK4DV6C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.791C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=134055 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20449 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72479668 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1b2cd0ee-8295-4024-99e8-519debb1dbe0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fa52f135-0483-476a-a057-4b82f51d7514 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8f92db5c-8ded-4cf2-a628-d9a7b46df13e Environmental → Air → Indoor EF 3.1 kg 2
cd932215-3e62-4059-9aff-bc9a4d46895b Environmental → Air → Long-term EF 3.1 kg 0
a9b595e1-d487-41e8-baf3-c6085f5e4a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
92b3ebf1-843a-4e53-8919-bc3cd63ff406 Environmental → Air → Unknown EF 3.1 kg 2
fa8c9e1c-c093-46e5-a032-05c733e48467 Environmental → Ground → Agricultural EF 3.1 kg 2
6b94af59-7250-437b-a92c-e1a85298df06 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5873f6bd-d80b-4c7e-a593-6025d58dc887 Environmental → Ground → Unknown EF 3.1 kg 2
a3fcba8a-2a40-4ca2-ac8c-ca2c1e5f5b82 Environmental → Water → Long-term EF 3.1 kg 0
681baf92-3d2c-4cae-b4c0-0820a640765c Environmental → Water → Ocean EF 3.1 kg 2
4840c06c-ab40-472d-a003-42e6442a68f5 Environmental → Water → Surface water EF 3.1 kg 2
22047512-dc85-448d-9674-4f2b0c44644d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2f368636f3a92ced",
  "prefLabel": [
    {
      "@value": "Furan-3-methanol",
      "@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": "3-(Hydroxymethyl)furan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4412-91-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4412-91-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furancarbinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4412-91-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4412-91-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furanmethanol",
      "@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=4412-91-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furfuryl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furylcarbinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furylmethanol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furylmethyl alcohol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Furan-3-ylmethanol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
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}

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