Diethylbenzene

Benzene, diethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KVNYFPKFSJIPBJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name	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	CCc1ccccc1CC

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=25340-17-4	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
6a0e79b2-be83-4a90-8395-2bedf154d9ec	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e52e154a-224e-4506-8689-4beb7ed23fb6	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
c97a842f-9950-44e7-b162-c0cf05c18f64	Environmental → Air → Indoor	EF 3.1	kg	4
4ad6d2da-804c-4776-93eb-360cb635b17e	Environmental → Air → Long-term	EF 3.1	kg	0
1dd3cb26-6ac2-484a-a387-df1817aacc20	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
95eb8a63-f4b8-4395-bf39-394ad0296225	Environmental → Air → Unknown	EF 3.1	kg	4
9ef9282c-0a19-4b5c-8561-115b7a9ecb77	Environmental → Ground → Agricultural	EF 3.1	kg	4
d8a4aa85-4728-4ad8-be46-807479398034	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d31760d7-2b50-4312-927b-f160861520ab	Environmental → Ground → Unknown	EF 3.1	kg	4
61ea44ef-0198-40bc-9bf9-9a0a5c81e175	Environmental → Water → Long-term	EF 3.1	kg	0
3c1281b0-582c-4f6f-9313-661cb7ce86f8	Environmental → Water → Ocean	EF 3.1	kg	4
24117fed-7443-488e-bf5f-36fbd364149e	Environmental → Water → Surface water	EF 3.1	kg	4
1908e1f5-fe02-4c18-a01a-65cac055c442	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (52 changes)

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Flow object JSON

{
  "flow_object_id": "fo-2b08ba4a94ba3fe5",
  "prefLabel": [
    {
      "@value": "Diethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene, diethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      "provenance": {
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        "prov:hadPrimarySource": [
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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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      "attested_by": {
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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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          ]
        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "KVNYFPKFSJIPBJ-UHFFFAOYSA-N": [
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      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C10H14"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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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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        ]
      },
      "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",
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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"
    }
  },
  "references": [
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      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25340-17-4",
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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  ],
  "created_from": {
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    "seed_uuid": "1908e1f5-fe02-4c18-a01a-65cac055c442",
    "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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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "@value": [
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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": [
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  ]
}

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Diethylbenzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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