Consensus flow list

But-3-yn-2-one

fo-91b06b8baf7b4348

Identity

Type
Neutral molecule
CAS
1423-60-5
EC
215-834-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for But-3-yn-2-one

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XRGPFNGLRSIPSA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3
IUPAC name chemrof:IUPAC_name But-3-yn-2-one
Molecular formula chemrof:molecular_formula C4H4O
Molecular mass chemrof:molecular_mass 68.075
Monoisotopic mass chemrof:monoisotopic_mass 68.02621, 68.026215
SMILES string chemrof:smiles_string C#CC(C)=O

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
beilstein beilstein:605353 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1423-60-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48060 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.395 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3074521 enrich_references.pubchem_identifier_url
gmelin gmelin:49292 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ST682FTU47 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.495B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56889 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15018 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27120922 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5f7f0557-e8a0-4dff-8548-9bc447a91855 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
94d30c99-29a8-4e43-ad89-1fe3c1ef1a73 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8e3f9f6c-ced2-45fb-a7d0-d60f567d62a3 Environmental → Air → Indoor EF 3.1 kg 2
39bc9ae8-908d-4d95-8a16-4b1338b0bcdb Environmental → Air → Long-term EF 3.1 kg 0
88acf542-7575-4e30-9135-c96bbf9b870b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bab0d0e9-1604-46f0-bc1c-69d0ea06da74 Environmental → Air → Unknown EF 3.1 kg 2
33c5ae36-7513-4cd7-b833-5587b89411a7 Environmental → Ground → Agricultural EF 3.1 kg 2
3407c3c9-a255-4d2c-b5fc-11b9c63298c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cb77a543-728f-474e-b470-ff1fd7bf199b Environmental → Ground → Unknown EF 3.1 kg 2
819f40e4-7839-4832-bb8a-282b25851cf7 Environmental → Water → Long-term EF 3.1 kg 0
1d8604bf-b894-40f6-9cb8-7597fc867671 Environmental → Water → Ocean EF 3.1 kg 2
c4d9b06f-aa63-44d9-ae57-bf91ba47658f Environmental → Water → Surface water EF 3.1 kg 2
a6b36a2f-082a-4593-9f02-b68d99240d09 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 
{
  "flow_object_id": "fo-91b06b8baf7b4348",
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  ],
  "altLabel": [
    {
      "@value": "1-butyn-3-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Butyn-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acetylethyne",
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    },
    {
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    },
    {
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    },
    {
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}

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