Consensus flow list

Identity

Type
Neutral molecule
CAS
584-02-1
EC
209-526-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-pentanol

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AQIXEPGDORPWBJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 3-pentanol
Molecular formula chemrof:molecular_formula C5H12O
Molecular mass chemrof:molecular_mass 88.15
Monoisotopic mass chemrof:monoisotopic_mass 88.088815, 88.08882
SMILES string chemrof:smiles_string CCC(O)CC

Known URLs

30

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=584-02-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77519 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.662 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0536 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8060400 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8654 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL47100 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB029632 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X4ELC182I5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303831 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.675A enrich_references.pubchem_identifier_url
knapsack knapsack:C00053663 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=137406 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11428 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1105 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20659631 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21280746 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21619052 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21766958 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23590828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23698768 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25149655 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26500665 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32674512 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34213330 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36596141 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36770192 enrich_references.chebi_xrefs
reaxys reaxys:1730964 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q590622 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Pentanol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
0d7a61ec-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 3
fe0acd60-3ddc-11dd-ae29-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 3
682a9170-2409-47f7-889a-1a695468b7e2 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae28-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
fe0acd60-3ddc-11dd-ae2a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 3
fe0acd60-3ddc-11dd-ae27-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 3
0d7a61ea-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
0d7a61ed-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0d7a61ef-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
0d7a61f1-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
0d7a61ee-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
0d7a61eb-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
0d7a61f0-6556-11dd-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-5b01a4b91b46e072",
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(C2H5)2CHOH",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
      "@value": "1-ethyl-1-propanol",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Ethylpropyl alcohol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxypentane",
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    {
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    },
    {
      "@value": "pentan-3-ol",
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    },
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