Brightway Flows 1.0
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But-3-yn-2-ol

fo-2e0b4a1da95d5baf

Identity

Type
Neutral molecule
CAS
2028-63-9
EC
217-978-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

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

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GKPOMITUDGXOSB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
IUPAC name chemrof:IUPAC_name But-3-yn-2-ol
Molecular formula chemrof:molecular_formula C4H6O
Molecular mass chemrof:molecular_mass 70.091
Monoisotopic mass chemrof:monoisotopic_mass 70.041865
SMILES string chemrof:smiles_string C#CC(C)O

Known URLs

8

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=2028-63-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.345 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022297 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=222370 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.780H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16239 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=551100 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q25385768 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
121559fb-b819-4da8-8c9f-89860d41e5da Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b15e914f-c6d5-4ce5-8f51-9783f1ceeb48 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
96d2b1b0-df20-4f51-8e4d-55467c5cd466 Environmental → Air → Indoor EF 3.1 kg 2
ef7c18da-ff0e-41ba-892d-e5e1d462e613 Environmental → Air → Long-term EF 3.1 kg 0
82e8861b-65ab-4484-a37a-c2519ada5332 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e948f609-2c84-492e-b418-f5e98e56a477 Environmental → Air → Unknown EF 3.1 kg 2
41df5c04-425a-47aa-b6c7-b67efce503cb Environmental → Ground → Agricultural EF 3.1 kg 2
1ee52ce2-9d5c-4e92-872f-039d1dbba002 Environmental → Ground → Non-agricultural EF 3.1 kg 2
219baa46-732f-499c-9844-5d2698013fcd Environmental → Ground → Unknown EF 3.1 kg 2
5f53b30f-07a4-4b71-a364-18aaaef7efd5 Environmental → Water → Long-term EF 3.1 kg 0
a9f5f508-d53f-4923-81a5-002ddc8cbf2b Environmental → Water → Ocean EF 3.1 kg 2
51f0671d-fec7-4d49-a321-d0f1b759ca61 Environmental → Water → Surface water EF 3.1 kg 2
f4f61ff0-4093-44e4-b2f1-eacdd4a96189 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-2e0b4a1da95d5baf",
  "prefLabel": [
    {
      "@value": "But-3-yn-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(RS)-1-Butyn-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2028-63-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-3-Butyn-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-But-1-yn-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butyn-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2028-63-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methyl-2-propyn-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
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      }
    },
    {
      "@value": "1-Methyl-2-propynyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methylpropargyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-3-butyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "3-Butyn-2-ol",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "3-Hydroxy-1-butyne",
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      }
    },
    {
      "@value": "3-Methyl-1-propyn-3-ol",
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      "provenance": {
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    },
    {
      "@value": "DL-1-Butyn-3-ol",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Methyl ethynyl carbinol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Methylpropargyl alcohol",
      "@language": "en",
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      "provenance": {
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  "properties": {
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}

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