Consensus flow list

Identity

Type
Neutral molecule
CAS
127-66-2
EC
204-855-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

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

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KSLSOBUAIFEGLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
IUPAC name chemrof:IUPAC_name 2-phenylbut-3-yn-2-ol
Molecular formula chemrof:molecular_formula C10H10O
Molecular mass chemrof:molecular_mass 146.189
Monoisotopic mass chemrof:monoisotopic_mass 146.073165
SMILES string chemrof:smiles_string C#CC(C)(O)c1ccccc1

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=127-66-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.415 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021990 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4329 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4TR9Q57OTG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.789A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92098 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260475 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a2c4b649-3eac-488d-a293-c3e363a0d18f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
192403bb-9651-4a96-bd84-a791006dd73d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
25efefda-56b5-4969-b26c-94a5bd5dbcde Environmental → Air → Indoor EF 3.1 kg 2
b0dc36b6-e496-403c-8148-0b5931b86e46 Environmental → Air → Long-term EF 3.1 kg 0
e1d193fd-71e7-48d1-94f0-6b714abc025e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
57c02fd5-5c46-41b2-bd78-378814b8f769 Environmental → Air → Unknown EF 3.1 kg 2
8aa75170-a041-43e2-b92b-1d1c382250f2 Environmental → Ground → Agricultural EF 3.1 kg 2
f6193b16-4c22-471f-a50f-e921ed529a99 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b223568f-2a59-44f2-9af8-2d0448ddbc9b Environmental → Ground → Unknown EF 3.1 kg 2
bccf5122-b354-4915-a51c-33139b1fa504 Environmental → Water → Long-term EF 3.1 kg 0
4edd666c-f2fa-4907-8120-d27d6dad1fdc Environmental → Water → Ocean EF 3.1 kg 2
2a30a3d1-3a5f-4acb-bb4f-129855f12228 Environmental → Water → Surface water EF 3.1 kg 2
90a6c5e0-5791-4881-918f-f03125e29f77 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c6a01321535da7e4",
  "prefLabel": [
    {
      "@value": "2-phenylbut-3-yn-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Hydroxy-2-phenyl-3-butyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:127-66-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-66-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenyl-2-hydroxy-3-butyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenyl-3-butyn-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Butyn-2-ol, 2-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxy-3-phenyl-1-butyne",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Phenyl-1-butyn-3-ol",
      "@language": "en",
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      }
    },
    {
      "@value": "3-Phenylbutyn-3-ol",
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        ],
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      }
    },
    {
      "@value": "Benzenemethanol, α-ethynyl-α-methyl-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Benzyl alcohol, α-ethynyl-α-methyl-",
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    },
    {
      "@value": "Ethynylmethylphenylcarbinol",
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      }
    },
    {
      "@value": "Methylphenylethynylcarbinol",
      "@language": "en",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
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}

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