Brightway Flows 1.0
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2-butanol

fo-b76834dfc9af0316

Identity

Type
Neutral molecule
CAS
78-92-2
EC
201-158-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-butanol

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BTANRVKWQNVYAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-butanol
Molecular formula chemrof:molecular_formula C4H10O
Molecular mass chemrof:molecular_mass 74.123
Monoisotopic mass chemrof:monoisotopic_mass 74.07316, 74.073165
SMILES string chemrof:smiles_string CCC(C)O

Known URLs

24

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=78-92-2 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/EO1AB3F0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35687 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.053 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.375 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0112 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021762 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02606 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02606 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25499 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL45462 enrich_references.pubchem_identifier_url
gmelin gmelin:1686 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0TUL3ENK62 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0011469 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.832K enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-326 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6568 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1120 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18214490 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24078128 enrich_references.chebi_xrefs
reaxys reaxys:773649 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q209332 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Butanol enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-butanol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2faddce-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 3
08a91e70-3ddc-11dd-91b6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 3
dc0d3bc3-4077-47bb-a5d3-3d18d5b8c9d1 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-91b5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
08a91e70-3ddc-11dd-91b7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 3
08a91e70-3ddc-11dd-91b4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 3
e2faddcc-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
e2faddcf-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e2faddd1-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
e2fb04b1-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2faddd0-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
e2faddcd-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
e2faddd2-6555-11dd-ad8b-0800200c9a66 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-b76834dfc9af0316",
  "prefLabel": [
    {
      "@value": "2-butanol",
      "@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-Butanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-92-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-92-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-methyl-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_35687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-methylpropyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-butyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_35687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-hydroxybutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Butanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=78-92-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "butan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "butanol-2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "DL-Butan-2-ol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dl-Methylethylcarbinol",
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    },
    {
      "@value": "dl-sec-Butanol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylmethyl carbinol",
      "@language": "en",
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      "provenance": {
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    },
    {
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    },
    {
      "@value": "Racemic-2-butanol",
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      }
    },
    {
      "@value": "s-Butanol",
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    },
    {
      "@value": "s-butyl alcohol",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "s-Butylalkohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "sec-butanol",
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    },
    {
      "@value": "sec-butyl alcohol",
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  ],
  "properties": {
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