2,6-dimethylnaphthalene

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role	Definition	Evidence
environmental contaminant CHEBI:78298	Any minor or unwanted substance introduced into the environment that can have undesired effects.	ChEBI

2,6-DMN
Naphthalene, 2,6-dimethyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	YGYNBBAUIYTWBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name	2,6-dimethylnaphthalene
Molecular formula chemrof:molecular_formula	C12H12
Molecular mass chemrof:molecular_mass	156.228
Monoisotopic mass chemrof:monoisotopic_mass	156.0939
SMILES string chemrof:smiles_string	Cc1ccc2cc(C)ccc2c1

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=581-42-0	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34251	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.605	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0029187	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36852	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194983	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76U29QW3FM	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0059764	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.113D	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14330	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14330	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54953	enrich_references.pubchem_identifier_url
patent	patent:EP1852409	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11387	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/20526527	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22324881	enrich_references.chebi_xrefs
reaxys	reaxys:1903544	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q2250787	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2,6-Dimethylnaphthalene	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
b8b63eb8-6b33-4ffc-8b5f-0c5fb21db09d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
512e813a-a0d6-4572-b426-e4b99b9744a0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
1b4e137f-75ce-43dd-8c0d-8c861662a957	Environmental → Air → Indoor	EF 3.1	kg	2
7e5a7a3f-bd17-4d64-9e5f-c9d5a8a0eb32	Environmental → Air → Long-term	EF 3.1	kg	0
6125e9c4-e222-4a87-83ae-9d18cde757bf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
59e505eb-3eb4-4de2-b601-6e4035dda199	Environmental → Air → Unknown	EF 3.1	kg	2
533fec9c-a888-4afa-9fc4-f1babcc4395d	Environmental → Ground → Agricultural	EF 3.1	kg	2
45048101-3c51-40ec-9d68-089c212499db	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
de13f8e2-6505-463e-95dc-fafdb801cbf8	Environmental → Ground → Unknown	EF 3.1	kg	2
1d3779c7-2e21-4700-9187-ebb46075c509	Environmental → Water → Long-term	EF 3.1	kg	0
bcc2a56f-084b-47ce-a690-7621e0912ee0	Environmental → Water → Ocean	EF 3.1	kg	2
27287bdc-f776-4a7a-a29b-ffd2a823c6d2	Environmental → Water → Surface water	EF 3.1	kg	2
78e0b25c-faa0-41ec-aee6-6ceeede8ded4	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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    "seed_uuid": "1b4e137f-75ce-43dd-8c0d-8c861662a957",
    "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": [
        "581-42-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=581-42-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=581-42-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-464-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-464-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A dimethylnaphthalene carrying methyl groups at positions 2 and 6.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_34251"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
      "rdfs:label": "environmental contaminant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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

2,6-dimethylnaphthalene

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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