Consensus flow list

Identity

Type
Neutral molecule
CAS
89-72-5
EC
201-933-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-sec-butylphenol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NGFPWHGISWUQOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-sec-butylphenol
Molecular formula chemrof:molecular_formula C10H14O
Molecular mass chemrof:molecular_mass 150.221
Monoisotopic mass chemrof:monoisotopic_mass 150.104465, 150.10447
SMILES string chemrof:smiles_string CCC(C)c1ccccc1O

Known URLs

22

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=53466-96-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=89-72-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/SJ881BC0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34303 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.758 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1472 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2022331 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL30193 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/025P24OTM5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245315 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.214J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14138 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14138 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54960 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6984 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3145 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19705287 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22858690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24197220 enrich_references.chebi_xrefs
reaxys reaxys:1210026 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q20156241 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/O-sec-Butylphenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ca96f172-22cd-45eb-a00e-21b56dcda395 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ba9c2701-2f3c-4d6a-9604-612eb71e66da Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
88c7ec54-1447-4757-927c-9bbcae1141be Environmental → Air → Indoor EF 3.1 kg 4
33fefa64-06d8-4d63-9e51-0df9b9e6bea3 Environmental → Air → Long-term EF 3.1 kg 0
efc3b61f-7ce2-4b98-935f-8d481400d066 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fc21d252-928a-4182-bd33-bb41624453d8 Environmental → Air → Unknown EF 3.1 kg 4
f8265884-2677-4292-bad1-54054a2478d7 Environmental → Ground → Agricultural EF 3.1 kg 4
7811827a-e5b8-49e4-bb16-d5dd0f2286eb Environmental → Ground → Non-agricultural EF 3.1 kg 4
1e599b6d-c343-4df5-af47-2ab694fa4ece Environmental → Ground → Unknown EF 3.1 kg 4
aacba1f2-ea19-4a1c-8117-ae2af564540a Environmental → Water → Long-term EF 3.1 kg 0
68bc5c56-ee82-41b9-a32c-3fbac4fdc308 Environmental → Water → Ocean EF 3.1 kg 4
ba33e262-ec55-4779-a8d1-74c8ef549fe0 Environmental → Water → Surface water EF 3.1 kg 4
564da8a1-dbd0-4254-ad7b-ef7611e2fdbe Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3357c0d75d7c255f",
  "prefLabel": [
    {
      "@value": "2-sec-butylphenol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-2-sec-Butylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(1-Methylpropyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-(butan-2-yl)phenol",
      "@language": "en",
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    },
    {
      "@value": "2-Butan-2-ylphenol",
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    },
    {
      "@value": "o-sec-Butylphenol",
      "@language": "en",
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      }
    },
    {
      "@value": "Phenol, 2-(1-methylpropyl)-",
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      }
    },
    {
      "@value": "Phenol, o-sec-butyl-",
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  ],
  "properties": {
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