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M-diethylbenzene

fo-088e883c201018fa

Identity

Type
Neutral molecule
CAS
141-93-5
EC
205-511-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for M-diethylbenzene

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AFZZYIJIWUTJFO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name M-diethylbenzene
Molecular formula chemrof:molecular_formula C10H14
Molecular mass chemrof:molecular_mass 134.222
Monoisotopic mass chemrof:monoisotopic_mass 134.10955
SMILES string chemrof:smiles_string CCc1cccc(CC)c1

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=141-93-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.011 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1022003 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62102 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZM2X7I1G8Y enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.809B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8864 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q24816743 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
13acac61-d8e5-48e7-9718-973074ebd500 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b376ab9b-fa3b-4fd8-8284-e4b78cc553d8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
be0722bd-3e83-42fd-bccc-5fcf70c17109 Environmental → Air → Indoor EF 3.1 kg 2
821b1cd2-d141-41c7-9791-689f6f1306ff Environmental → Air → Long-term EF 3.1 kg 0
c1b5f7fc-8645-4663-b6a9-bdc25d1d9eb4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b3af87ad-28e8-4111-ab58-5bee54a4cab1 Environmental → Air → Unknown EF 3.1 kg 2
dc654912-5b5f-40c8-b445-13a7f6f363ee Environmental → Ground → Agricultural EF 3.1 kg 2
d50a4589-8559-4e93-b52c-f31e68ece200 Environmental → Ground → Non-agricultural EF 3.1 kg 2
26436f90-3ffc-4a9b-a07b-b5624d6201b7 Environmental → Ground → Unknown EF 3.1 kg 2
e5a1955c-7494-420c-9520-ebb28f8ecd0a Environmental → Water → Long-term EF 3.1 kg 0
cca9db3e-3611-4599-b016-c09b9336cbf8 Environmental → Water → Ocean EF 3.1 kg 2
8f2a38b6-2a0e-40b7-830a-e619c53739c6 Environmental → Water → Surface water EF 3.1 kg 2
562b386c-ff5d-4401-a727-48e629fd8b78 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-088e883c201018fa",
  "prefLabel": [
    {
      "@value": "M-diethylbenzene",
      "@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": "1,3-Diethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:141-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=141-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Ethyl-3-ethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:141-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=141-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,3-diethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:141-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=141-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, m-diethyl-",
      "@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=141-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Ethylethylbenzene",
      "@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=141-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "attested_by": {
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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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      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CCc1cccc(CC)c1"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "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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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCc1cccc(CC)c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "M-diethylbenzene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "M-diethylbenzene": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC1=CC(=CC=C1)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "134.222": [
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          "rdkit_pre_consensus"
        ]
      },
      "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": [
        134.10955
      ],
      "provenance": [
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          "prov:hadPrimarySource": [
            "CCC1=CC(=CC=C1)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCc1cccc(CC)c1"
          ]
        }
      ],
      "attested_by": {
        "134.10955": [
          "rdkit_post_consensus",
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        ]
      },
      "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=J5.809B",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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    },
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      }
    },
    {
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    },
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        "prov:wasDerivedFrom": "pubchem.identifiers[141-93-5]"
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    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[141-93-5]"
      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[141-93-5]"
      }
    },
    {
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      "provenance": {
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  ],
  "created_from": {
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    "seed_uuid": "13acac61-d8e5-48e7-9718-973074ebd500",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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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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