Consensus flow list

Identity

Type
Neutral molecule
CAS
120-62-7
EC
204-412-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Piperonyl Sulfoxide

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ATTZFSUZZUNHBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,2-(Methylenedioxy)-4-[2-(octylsulfinyl)propyl]benzene
Molecular formula chemrof:molecular_formula C18H28O3S
Molecular mass chemrof:molecular_mass 324.486
Monoisotopic mass chemrof:monoisotopic_mass 324.175916, 324.17592
SMILES string chemrof:smiles_string CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2

Known URLs

14

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=120-62-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82267 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.012 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021168 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8400 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184866 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WOR3CS513R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258607 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.329E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19147 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19147 enrich_references.pubchem_identifier_url
ppdb ppdb:2997 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8442 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155850 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f2157164-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-98da-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9b7ae66e-c195-4962-b6f4-3fb5383e363c Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a087-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98db-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-98ce-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-98cc-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-98df-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e8f31e3241085ca4985827963699afbbe9080d24 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-98cd-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-98dd-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98e0-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-98dc-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-98de-0050c2490048 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-9c21da05aefb6271",
  "prefLabel": [
    {
      "@value": "Piperonyl Sulfoxide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1,2-(Methylenedioxy)-4-[2-(octylsulfinyl)propyl]benzene",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-",
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    },
    {
      "@value": "1-Methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide",
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    },
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    },
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      "@value": "Benzene, 1,2-(methylenedioxy)-4-[2-(octylsulfinyl)propyl]-",
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    },
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      "@value": "Sulfox-cide",
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    },
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    },
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