Consensus flow list

Identity

Type
NeutralMolecule
CAS
590-66-9
EC
209-687-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1-dimethylcyclohexane

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QEGNUYASOUJEHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,1-dimethylcyclohexane
Molecular formula chemrof:molecular_formula C8H16
Molecular mass chemrof:molecular_mass 112.216
Monoisotopic mass chemrof:monoisotopic_mass 112.125201
SMILES string chemrof:smiles_string CC1(C)CCCCC1

Known URLs

11

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=27195-67-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=590-66-9 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229279 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.808 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1074832 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74156 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2MEV4299RC enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.468J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11549 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2263 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q24702742 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7c9713ad-5e62-416a-a58d-05a34be5aee0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5d37e999-40c9-4745-a60b-cea13e8714f9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f6eb29cd-4050-4a4f-a024-894b7a317326 Environmental → Air → Indoor EF 3.1 kg 2
0d907f78-c1a3-4e3b-bc0b-21401987e1b8 Environmental → Air → Long-term EF 3.1 kg 0
5fa34bc0-b347-4370-a18b-40cdc761e5f4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c5ecddc7-cbd2-43d9-9543-1d82d71068f9 Environmental → Air → Unknown EF 3.1 kg 2
384da86c-108e-403b-a680-c39c9ab6233f Environmental → Ground → Agricultural EF 3.1 kg 2
7ee625b8-1072-4c06-b592-2ee432ccf588 Environmental → Ground → Non-agricultural EF 3.1 kg 2
41b367ca-158a-40a9-a5b9-941dc7455c85 Environmental → Ground → Unknown EF 3.1 kg 2
7f8f7ad4-fc5e-4bff-8e4b-493fae46c2c3 Environmental → Water → Long-term EF 3.1 kg 0
5a07f0e3-8a1d-402a-a4d4-8f19570865e5 Environmental → Water → Ocean EF 3.1 kg 2
00f052d9-b5ee-465e-9dd2-d3e7aa0482ab Environmental → Water → Surface water EF 3.1 kg 2
3619ad03-40b8-4f9c-b932-d9713f9d077c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f1db6d7b3533016a",
  "prefLabel": [
    {
      "@value": "1,1-dimethylcyclohexane",
      "@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": "Cyclohexane, 1,1-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:590-66-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=590-66-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "gem-Dimethylcyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
        "C8H16"
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      "attested_by": {
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          "rdkit_post_consensus"
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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          ]
        },
        {
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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",
      "@value": [
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      ],
      "provenance": [
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        }
      ],
      "attested_by": {
        "112.125201": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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  "created_from": {
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    "seed_uuid": "00f052d9-b5ee-465e-9dd2-d3e7aa0482ab",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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