Consensus flow list

Identity

Type
NeutralMolecule
CAS
78-27-3
EC
201-100-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-ethynylcyclohexanol

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QYLFHLNFIHBCPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
IUPAC name chemrof:IUPAC_name 1-ethynylcyclohexanol
Molecular formula chemrof:molecular_formula C8H12O
Molecular mass chemrof:molecular_mass 124.183
Monoisotopic mass chemrof:monoisotopic_mass 124.088815
SMILES string chemrof:smiles_string C#CC1(O)CCCCC1

Known URLs

12

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=28652-54-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=78-27-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.001 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.643 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021757 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8194 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL394631 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6RV04025EH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.435I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6525 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27265398 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Ethynylcyclohexanol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22e4b01e-0bd6-4589-abc2-5b5046a680f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5d7d1b4c-325a-44f5-8bfd-fe999a133ab2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b257e065-e1e2-4546-ab60-bc88b7c9d812 Environmental → Air → Indoor EF 3.1 kg 4
34ee40f5-8a35-430c-8e7c-f5d5647c866c Environmental → Air → Long-term EF 3.1 kg 0
625c4b48-d1dc-442f-a6cb-21bcd523dc22 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d98708c-4374-4c70-9402-f3bdf546223a Environmental → Air → Unknown EF 3.1 kg 4
675d425b-7bf5-4d41-8993-f4f5309adee7 Environmental → Ground → Agricultural EF 3.1 kg 4
fe9a45ec-d696-4d5f-ace2-1ec089160c31 Environmental → Ground → Non-agricultural EF 3.1 kg 4
14ac0104-65c6-46d1-a166-ff6201d0b941 Environmental → Ground → Unknown EF 3.1 kg 4
7a6f42ad-d2f5-41ef-901b-9381bd77e244 Environmental → Water → Long-term EF 3.1 kg 0
d5321535-0bdf-4539-b979-cf41ce1c2d3f Environmental → Water → Ocean EF 3.1 kg 4
1e591828-5a35-4356-9734-c9a62945a3bb Environmental → Water → Surface water EF 3.1 kg 4
47d3425b-98ae-4206-8c17-a458558c9744 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a0ff4ceb23b9d072",
  "prefLabel": [
    {
      "@value": "1-ethynylcyclohexanol",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1-Hydroxycyclohexyl)acetylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1-Hydroxycyclohexyl)ethyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Ethynyl-1-cyclohexanol",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Ethynyl-1-hydroxycyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "1-Ethynylcyclohexanal",
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    {
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      "@value": "Bluesil RTRD-PA 40",
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      }
    },
    {
      "@value": "Cyclohexanol, 1-ethynyl-",
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    {
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}

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