Consensus flow list

Identity

Type
Neutral molecule
CAS
140-57-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Aramite

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YKFRAOGHWKADFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-(p-tert-Butylphenoxy)-1-methylethyl 2-chloroethyl sulfite
Molecular formula chemrof:molecular_formula C15H23ClO4S
Molecular mass chemrof:molecular_mass 334.865
Monoisotopic mass chemrof:monoisotopic_mass 334.100558, 334.10056
SMILES string chemrof:smiles_string CC(COc1ccc(C(C)(C)C)cc1)OS(=O)OCCCl

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=140-57-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82151 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.217.183 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020097 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404155 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903447 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G71239KH enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55619R6X8S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.807F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19019 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19019 enrich_references.pubchem_identifier_url
ppdb ppdb:1334 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8809 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155771 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
041fab2e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c4-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6d7c9455-56c7-4cd1-8df5-8238955e54b2 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c3-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4c5-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c2-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-af95-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c9-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
47222650f494c363dbd7593eccf164b932f582f2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a4c1-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c7-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4ca-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c6-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a4c8-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d084e043406bc626",
  "prefLabel": [
    {
      "@value": "Aramite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(p-tert-Butylphenoxy)-1-methylethyl 2-chloroethyl sulfite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(p-tert-Butylphenoxy)isopropyl 2-chloroethyl sulfite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "88R",
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      }
    },
    {
      "@value": "Aramit",
      "@language": "en",
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    },
    {
      "@value": "CES",
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      }
    },
    {
      "@value": "Ethanol, 2-chloro-, 2-(p-tert-butylphenoxy)-1-methylethyl sulfite",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Niagaramite",
      "@language": "en",
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      }
    },
    {
      "@value": "Ortho-Mite",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfurous acid, 2-(p-tert-butylphenoxy)-1-methylethyl 2-chloroethyl ester",
      "@language": "en",
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    },
    {
      "@value": "Sulfurous acid, 2-chloroethyl 2-[4-(1,1-dimethylethyl)phenoxy]-1-methylethyl ester",
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    },
    {
      "@value": "β-Chloroethyl-β′-(p-tert-butylphenoxy)-α′-methylethyl sulfite",
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