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P-(2-methoxyethyl)phenol

fo-0240a5e010445d6d

Identity

Type
Neutral molecule
CAS
56718-71-9
EC
260-354-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for P-(2-methoxyethyl)phenol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FAYGEALAEQKPDI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3
IUPAC name chemrof:IUPAC_name 4-(2-Methoxyethyl)phenol
Molecular formula chemrof:molecular_formula C9H12O2
Molecular mass chemrof:molecular_mass 152.193
Monoisotopic mass chemrof:monoisotopic_mass 152.08373
SMILES string chemrof:smiles_string COCCc1ccc(O)cc1

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=56718-71-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.850 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2073564 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1094369 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PY1W0AKW8I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.673B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92516 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27286814 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3242931c-87b5-44a9-aac6-7ba8a90f139f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0c5d767a-874c-4c5a-b6e3-e2395fed2054 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d29f3d11-7d6d-40e2-976b-479bdcffefa0 Environmental → Air → Indoor EF 3.1 kg 2
1457fb73-3e94-44fe-bbdc-b9fbc2a0bd0f Environmental → Air → Long-term EF 3.1 kg 0
dbf3285d-cfad-43ff-afa6-16ea539a667f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c9227c57-b099-4ed4-8ad5-5aad8c481b8b Environmental → Air → Unknown EF 3.1 kg 2
83ee72c8-17e3-42a0-b7b8-bf4e6547e5ca Environmental → Ground → Agricultural EF 3.1 kg 2
1e56b2eb-4c09-4ca0-9d64-6582afbacd7b Environmental → Ground → Non-agricultural EF 3.1 kg 2
cfc77d95-f996-41dc-8612-32d09c95b68b Environmental → Ground → Unknown EF 3.1 kg 2
e6f6122d-ba72-47e3-bbb0-750295cea62c Environmental → Water → Long-term EF 3.1 kg 0
86cee075-aee0-4c9e-8ad7-f708ca95c2c2 Environmental → Water → Ocean EF 3.1 kg 2
102ec386-4b7d-42d8-93e3-0dfb79fcaf75 Environmental → Water → Surface water EF 3.1 kg 2
fe926e59-23f4-4700-af7e-abc8fad15afa 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-0240a5e010445d6d",
  "prefLabel": [
    {
      "@value": "P-(2-methoxyethyl)phenol",
      "@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": "4-(2-Methoxyethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56718-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56718-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxyphenethyl methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56718-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56718-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-(2-methoxyethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56718-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56718-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, p-(2-methoxyethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56718-71-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56718-71-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H12O2"
      ],
      "attested_by": {
        "C9H12O2": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:hadPrimarySource": [
            "COCCc1ccc(O)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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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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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3"
      ],
      "provenance": [
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        },
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        }
      ],
      "attested_by": {
        "InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
            "COCCC1=CC=C(C=C1)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "152.193": [
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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": [
        152.08373
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COCCc1ccc(O)cc1"
          ]
        }
      ],
      "attested_by": {
        "152.08373": [
          "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=J40.673B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
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      }
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    },
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    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[56718-71-9]"
      }
    },
    {
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    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[56718-71-9]"
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  ],
  "created_from": {
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    "seed_uuid": "0c5d767a-874c-4c5a-b6e3-e2395fed2054",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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