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4-methyl-2-phenyltetrahydro-2h-pyran

fo-9bfcc636022ed587

Identity

Type
Neutral molecule
CAS
94201-73-7
EC
303-662-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-methyl-2-phenyltetrahydro-2h-pyran

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GDAVABNCFOTAOD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
IUPAC name chemrof:IUPAC_name 4-methyl-2-phenyltetrahydro-2h-pyran
Molecular formula chemrof:molecular_formula C12H16O
Molecular mass chemrof:molecular_mass 176.259
Monoisotopic mass chemrof:monoisotopic_mass 176.120115
SMILES string chemrof:smiles_string CC1CCOC(c2ccccc2)C1

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=94201-73-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.094.195 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90869209 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J382.467E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3024003 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126611501 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e0bc907f-f17e-43fd-962a-330eb41506ae Environmental → Air → Aircraft cruise height EF 3.1 kg 2
91b9066b-2adf-4ca0-bc27-a7ee8cc38b9a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
721d8801-0420-4c64-9bdf-26a3bc75f67d Environmental → Air → Indoor EF 3.1 kg 2
3aecdb95-4224-45bb-8923-1d107207e866 Environmental → Air → Long-term EF 3.1 kg 0
49e3b2b4-ba89-4d49-bf6e-1b0226af1176 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9848fb22-74c9-4e01-9abb-b0025dc71061 Environmental → Air → Unknown EF 3.1 kg 2
0d38a33c-1dbe-47d7-9b09-e2a53c93e0b1 Environmental → Ground → Agricultural EF 3.1 kg 2
1f8386c0-8d74-414a-9fd3-a2fda4bd9f14 Environmental → Ground → Non-agricultural EF 3.1 kg 2
59166535-622a-442d-8576-e460badce53a Environmental → Ground → Unknown EF 3.1 kg 2
66037cab-cc02-414b-88bc-155c44a84e38 Environmental → Water → Long-term EF 3.1 kg 0
f541f043-d056-47b9-a13a-d6f428b20da3 Environmental → Water → Ocean EF 3.1 kg 2
b02158ea-c2f0-4f30-b62a-b3197e95a473 Environmental → Water → Surface water EF 3.1 kg 2
30efc552-e132-44e8-bcb3-1d273c23a9f6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9bfcc636022ed587",
  "prefLabel": [
    {
      "@value": "4-methyl-2-phenyltetrahydro-2h-pyran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2H-Pyran, tetrahydro-4-methyl-2-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Doremox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrahydro-4-methyl-2-phenyl-2H-pyran",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C12H16O"
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        },
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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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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      "rdfs:label": "Molecular mass",
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      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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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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        }
      ],
      "attested_by": {
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          "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=J382.467E",
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0d38a33c-1dbe-47d7-9b09-e2a53c93e0b1",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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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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