Consensus flow list

Identity

Type
Neutral molecule
CAS
123-62-6
EC
204-638-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propanoyl Propionate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WYVAMUWZEOHJOQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name Propanoyl Propionate
Molecular formula chemrof:molecular_formula C6H10O3
Molecular mass chemrof:molecular_mass 130.143
Monoisotopic mass chemrof:monoisotopic_mass 130.062994
SMILES string chemrof:smiles_string CCC(=O)OC(=O)CC

Known URLs

13

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=123-62-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.218 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0558 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027007 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186472 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E3A2VV18E6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256826 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.542E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130657 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31263 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2496 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q418066 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propionic_anhydride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7bc8a883-9c2c-4fd5-8333-cc22780010bb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
83756b2a-4a19-4983-8df7-8f092ad10652 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
79212ec5-dcb0-487b-b878-639ff3a710a6 Environmental → Air → Indoor EF 3.1 kg 4
32c7ae58-8652-47b0-a294-252df96c849b Environmental → Air → Long-term EF 3.1 kg 0
84e8b1b2-337c-428f-975f-db5412fe8651 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1458d809-c5c8-44bb-aa2f-3669ff268af1 Environmental → Air → Unknown EF 3.1 kg 4
1e1ab10b-9622-4fdc-9ef4-ca0a6f8fc544 Environmental → Ground → Agricultural EF 3.1 kg 4
690885d4-d917-4523-947b-15b7a0ddffbd Environmental → Ground → Non-agricultural EF 3.1 kg 4
85b1af5d-1320-4e85-ade4-bc2347abd282 Environmental → Ground → Unknown EF 3.1 kg 4
754e2cd3-e43c-4fde-aba4-02fe9d3e1543 Environmental → Water → Long-term EF 3.1 kg 0
1afc60e5-a5f5-46ab-9dd3-eb29e7fb2556 Environmental → Water → Ocean EF 3.1 kg 4
df1a4e51-386a-478a-b17c-339a3f3f9ba1 Environmental → Water → Surface water EF 3.1 kg 4
df7915f2-ca01-4e28-9f08-68cc9410c852 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c33801aeca03dd9e",
  "prefLabel": [
    {
      "@value": "Propanoyl Propionate",
      "@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": "Methylacetic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:123-62-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 1,1′-anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:123-62-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:123-62-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoyl propanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionic acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionyl anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=123-62-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionyl oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "C6H10O3"
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      "provenance": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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