Consensus flow list

Identity

Type
NeutralMolecule
CAS
3900-45-6
EC
223-453-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(6-methoxy-2-naphthyl)ethanone

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GGWCZBGAIGGTDA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name 1-(6-methoxy-2-naphthyl)ethanone
Molecular formula chemrof:molecular_formula C13H12O2
Molecular mass chemrof:molecular_mass 200.237
Monoisotopic mass chemrof:monoisotopic_mass 200.08373
SMILES string chemrof:smiles_string COc1ccc2cc(C(C)=O)ccc2c1

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=3900-45-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.322 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60192278 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=105564 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/61VBH3537C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.385B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77506 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27263377 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a4011d37-96dc-42a5-a1f6-f2d0e6e1b4f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8d9c1b85-418a-4051-9c60-19f6ffe7105f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
41f145c5-21c8-445b-82cb-83cfb1d63486 Environmental → Air → Indoor EF 3.1 kg 4
20775f29-a4a3-46d1-b451-644bedd35bf1 Environmental → Air → Long-term EF 3.1 kg 0
ba7449ea-abb2-4f15-88b3-aedac573619c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e9aef93d-c55c-456b-ae86-01f65a7afbfa Environmental → Air → Unknown EF 3.1 kg 4
50856809-8608-46d5-8b59-86804ec69a90 Environmental → Ground → Agricultural EF 3.1 kg 4
59f0fb07-5ee1-402c-b5e2-aa2373d5dc2f Environmental → Ground → Non-agricultural EF 3.1 kg 4
9a006e45-64d4-46bc-af73-393220ab1112 Environmental → Ground → Unknown EF 3.1 kg 4
35be0d78-4221-41d7-93d5-882bf7b57c48 Environmental → Water → Long-term EF 3.1 kg 0
91a4f0a5-884d-4206-9b80-845d924438b0 Environmental → Water → Ocean EF 3.1 kg 4
8941e4a2-7ddc-4c8c-8ef8-e0d93a755372 Environmental → Water → Surface water EF 3.1 kg 4
3ba6b095-d07a-4ad0-9463-551d0c98e27f 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-ef7a8180fac750fe",
  "prefLabel": [
    {
      "@value": "1-(6-methoxy-2-naphthyl)ethanone",
      "@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": "1-(2-Methoxynaphthalen-6-yl)ethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(6-Methoxy-2-naphthalenyl)-1-ethanone",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(6-Methoxy-2-naphthalenyl)ethanone",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(6-Methoxy-2-naphthyl)-1-ethanone",
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        ],
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      }
    },
    {
      "@value": "2-Acetyl-6-methoxynaphthalene",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Methoxy-6-acetylnaphthalene",
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        ],
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      }
    },
    {
      "@value": "2′-Acetonaphthone, 6′-methoxy-",
      "@language": "en",
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    },
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    {
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    {
      "@value": "6-Methoxy-2-naphthyl methyl ketone",
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        ],
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    },
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      "@value": "6′-Methoxy-2′-acetonaphthone",
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    },
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}

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