Consensus flow list

Isopropylcyclohexane

fo-742f1c353a8928c7

Identity

Type
Neutral molecule
CAS
696-29-7
EC
211-792-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isopropylcyclohexane

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GWESVXSMPKAFAS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name Isopropylcyclohexane
Molecular formula chemrof:molecular_formula C9H18
Molecular mass chemrof:molecular_mass 126.243
Monoisotopic mass chemrof:monoisotopic_mass 126.14085, 126.140851
SMILES string chemrof:smiles_string CC(C)C1CCCCC1

Known URLs

15

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=696-29-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:187116 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.722 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.12239.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2061012 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73963 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5S52JAD8P7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0038191 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.397G enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000629 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000629 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5324 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12763 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3295 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q63408583 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
32cdaea9-70ba-4a0a-b238-2b573fa6dc65 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9feea50e-dbbc-4a87-80ee-7cfef4b1122d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
de521927-2f79-4a85-94a6-229fa061d740 Environmental → Air → Indoor EF 3.1 kg 2
22cd7d95-e2cc-41b2-8adc-eb1a6265d208 Environmental → Air → Long-term EF 3.1 kg 0
d8c861e8-0466-4a7e-996c-2a32bfc383ec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4cb34bdb-0338-451d-bdbc-80d11fedc93b Environmental → Air → Unknown EF 3.1 kg 2
7e9351cc-f568-49b3-9a34-0b45de1546d7 Environmental → Ground → Agricultural EF 3.1 kg 2
613f7887-0eab-489c-a742-c1e8623e773e Environmental → Ground → Non-agricultural EF 3.1 kg 2
4815e5d5-a469-4ef0-ae6f-3b224d718c58 Environmental → Ground → Unknown EF 3.1 kg 2
3a110384-b277-4bb5-ba83-4085a21240cf Environmental → Water → Long-term EF 3.1 kg 0
58ce8e38-c02c-4508-a287-c999053f72e2 Environmental → Water → Ocean EF 3.1 kg 2
fbb4bdda-e7ce-46a3-9f04-bf51c502a499 Environmental → Water → Surface water EF 3.1 kg 2
b5bfab3a-360a-4fc1-b76b-0777b72f3058 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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        "https://commonchemistry.cas.org/detail?cas_rn=696-29-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=696-29-7"
        }
      ],
      "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": [
        "211-792-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=211-792-4"
      ],
      "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,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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