Trimethyl Naphthalene

Naphthalene, trimethyl-
Trimethylnaphthalene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RQHPYGROUIBUSW-UHFFFAOYSA-N, XYTKCJHHXQVFCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3
IUPAC name chemrof:IUPAC_name	Trimethyl Naphthalene
Molecular formula chemrof:molecular_formula	C13H14
SMILES string chemrof:smiles_string	Cc1cc2ccccc2c(C)c1C

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=17057-91-9	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=28652-77-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.037.368	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID001358991	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X3MOE579W5	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J318.338F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/28226	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27293511	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f52096e4-539a-4da5-939c-e1bed1f23689	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a78247ea-bbcc-41b0-9742-fd6566fc6f8f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
80483fcf-f401-48f1-a1b7-6f65622b159c	Environmental → Air → Indoor	EF 3.1	kg	2
99eb8bcd-ba3e-4b47-9e60-a554074c8893	Environmental → Air → Long-term	EF 3.1	kg	0
3e8e41b4-28e2-4470-8789-e84493b00b88	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
85d8a5e5-59ed-42d2-9dba-ba8521e6fb42	Environmental → Air → Unknown	EF 3.1	kg	2
3bbb0f71-28a3-451f-9c28-fda2cc97d6ce	Environmental → Ground → Agricultural	EF 3.1	kg	2
bc796f0a-bdd2-4310-8b22-ad611ad7e539	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
322cd17d-0f26-47a6-8452-a382528fb3d6	Environmental → Ground → Unknown	EF 3.1	kg	2
56055fdf-e99d-4cb8-b72c-42dc95deebb3	Environmental → Water → Long-term	EF 3.1	kg	0
7c210270-8eac-450f-b1c8-f943f173e6b6	Environmental → Water → Ocean	EF 3.1	kg	2
d2b24991-c6e0-4ad6-8793-80e66853de97	Environmental → Water → Surface water	EF 3.1	kg	2
b3dc8656-b8c0-451a-b6b0-40e690d712ea	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-fcb3f41ddc37ffcd",
  "prefLabel": [
    {
      "@value": "Trimethyl Naphthalene",
      "@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": "Naphthalene, trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28652-77-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28652-77-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimethylnaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28652-77-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28652-77-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H14"
      ],
      "attested_by": {
        "C13H14": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:28226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc2ccccc2c(C)c1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RQHPYGROUIBUSW-UHFFFAOYSA-N",
        "XYTKCJHHXQVFCK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "XYTKCJHHXQVFCK-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "RQHPYGROUIBUSW-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:28226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc2ccccc2c(C)c1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cc2ccccc2c(C)c1C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Trimethyl Naphthalene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc2ccccc2c(C)c1C"
          ]
        }
      ],
      "attested_by": {
        "Cc1cc2ccccc2c(C)c1C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Trimethyl Naphthalene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc2ccccc2c(C)c1C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Trimethyl Naphthalene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Trimethyl Naphthalene"
        ]
      },
      "attested_by": {
        "Trimethyl Naphthalene": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J318.338F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.037.368",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17057-91-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28652-77-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID001358991",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X3MOE579W5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/28226",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28652-77-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27293511",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:28226;CAS:28652-77-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28652-77-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "322cd17d-0f26-47a6-8452-a382528fb3d6",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "28652-77-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=28652-77-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=28652-77-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Trimethyl Naphthalene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard