Consensus flow list

Identity

Type
NeutralMolecule
CAS
13909-73-4
EC
237-678-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2',3',4'-trimethoxyacetophenone

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PKNAATJMQOUREZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3
IUPAC name chemrof:IUPAC_name 2',3',4'-trimethoxyacetophenone
Molecular formula chemrof:molecular_formula C11H14O4
Molecular mass chemrof:molecular_mass 210.229
Monoisotopic mass chemrof:monoisotopic_mass 210.089209
SMILES string chemrof:smiles_string COc1ccc(C(C)=O)c(OC)c1OC

Known URLs

8

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=13909-73-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.239 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022257 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=68811 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F3JC7ZP11A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.319H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/83810 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27277586 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ae58d431-aa72-4d13-a083-1d6313bd66eb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
05bd5af6-8ad1-47d9-bd2c-7b94bc7f4924 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9910584b-164e-468f-943d-32a55255ba7b Environmental → Air → Indoor EF 3.1 kg 2
3970836a-f08a-4174-926c-96eed7f6b8cd Environmental → Air → Long-term EF 3.1 kg 0
d2d8ba9a-355b-4f3b-8486-646572386845 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a367cd04-e9c5-40e7-b31e-59304296bc70 Environmental → Air → Unknown EF 3.1 kg 2
c12102b2-a350-4840-a109-40ff25b71b3f Environmental → Ground → Agricultural EF 3.1 kg 2
a92f5f40-58b5-4b3a-85bb-54c2aeb714bb Environmental → Ground → Non-agricultural EF 3.1 kg 2
86b1f993-aef4-4c23-822d-62b0b6925740 Environmental → Ground → Unknown EF 3.1 kg 2
435d2a88-6d9d-4e73-8342-289e53806724 Environmental → Water → Long-term EF 3.1 kg 0
e50e4b76-510e-4fe1-9e14-99ce2c688c16 Environmental → Water → Ocean EF 3.1 kg 2
2d9fa867-3ec3-463b-8d8f-99c68e1100e2 Environmental → Water → Surface water EF 3.1 kg 2
dee4992c-c1b0-4d9b-a20c-5982cd6291f5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5e58319d4da550d2",
  "prefLabel": [
    {
      "@value": "2',3',4'-trimethoxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(2,3,4-Trimethoxyphenyl)ethan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:13909-73-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13909-73-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(2,3,4-Trimethoxyphenyl)ethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2′,3′,4′-Trimethoxyacetophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetophenone, 2′,3′,4′-trimethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanone, 1-(2,3,4-trimethoxyphenyl)-",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Methyl 2,3,4-trimethoxyphenyl ketone",
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    },
    {
      "@value": "Tri-O-methylgallacetophenone",
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}

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