Consensus flow list

Identity

Type
Neutral molecule
CAS
28652-77-9
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Trimethyl Naphthalene

Alternative labels

2

Properties

PropertyValue
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

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=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.org https://www.wikidata.org/wiki/Q27293511 enrich_references.pubchem_identifier_url

Elementary flows

13
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

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-fcb3f41ddc37ffcd",
  "prefLabel": [
    {
      "@value": "Trimethyl Naphthalene",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Naphthalene, trimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Trimethylnaphthalene",
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        ],
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  ],
  "properties": {
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      "@value": [
        "C13H14"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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    },
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      "rdfs:label": "SMILES",
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        },
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          ]
        }
      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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        },
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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": {
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      },
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        ]
      }
    }
  },
  "references": [
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      "rdfs:seeAlso": [
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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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