Cyclooctane

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WJTCGQSWYFHTAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
IUPAC name chemrof:IUPAC_name	Cyclooctane
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	C1CCCCCCC1

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=292-64-8	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=39366-06-8	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229287	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.005.484	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9075377	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72426	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL452651	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KKZ3KBS654	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0250661	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.686E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9266	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q86495	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Cyclooctane	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1ca271d1-b8f3-416a-8c03-01458147805f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f318a405-fc7c-49be-8c60-bf7eaa172ce9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
361f8ace-9117-4742-8112-07589cfdcc16	Environmental → Air → Indoor	EF 3.1	kg	2
a3995539-c219-423a-80ef-47ddd0a6f786	Environmental → Air → Long-term	EF 3.1	kg	0
758165c6-26cc-484e-af0c-9eef23de049a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
07f91f67-d532-4099-86ae-cec7caee94a3	Environmental → Air → Unknown	EF 3.1	kg	2
7629a787-42d6-491d-bb41-9d3ebbff3dbd	Environmental → Ground → Agricultural	EF 3.1	kg	2
2b965426-d1db-4a16-b11d-5eb321225825	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ebbfdd07-3f59-4e5b-a2fc-905363cc3e0f	Environmental → Ground → Unknown	EF 3.1	kg	2
aaad7769-c29e-4db5-82b1-e8c3bb28ab65	Environmental → Water → Long-term	EF 3.1	kg	0
62899c00-531d-4bc4-bd32-435e32506fbd	Environmental → Water → Ocean	EF 3.1	kg	2
71eae97f-f09a-4a22-8224-792137f8dcb7	Environmental → Water → Surface water	EF 3.1	kg	2
823940dc-4b19-439d-9e56-a08bd1f42cfd	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-4f2ba096f3262f51",
  "prefLabel": [
    {
      "@value": "Cyclooctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H16"
      ],
      "attested_by": {
        "C8H16": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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            "C1CCCCCCC1"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "WJTCGQSWYFHTAC-UHFFFAOYSA-N"
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      "attested_by": {
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      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        },
        {
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      ],
      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      "provenance": [
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        },
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      ],
      "attested_by": {
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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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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Cyclooctane"
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      },
      "attested_by": {
        "Cyclooctane": [
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      }
    },
    "https://w3id.org/chemrof/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": {
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      "rdfs:label": "Monoisotopic mass",
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      ],
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        {
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        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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}

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Cyclooctane

Identity

Structure

Properties

Known URLs

Elementary flows

History

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