Consensus flow list

Identity

Type
Neutral molecule
CAS
3425-89-6
EC
222-323-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OEMSKMUAMXLNKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
IUPAC name chemrof:IUPAC_name 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Molecular formula chemrof:molecular_formula C9H10O3
Molecular mass chemrof:molecular_mass 166.176
Monoisotopic mass chemrof:monoisotopic_mass 166.062994
SMILES string chemrof:smiles_string CC1=CCC2C(=O)OC(=O)C2C1

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=3425-89-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.295 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.478.943 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058714 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=52669 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.054J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/98496 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72506178 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c5d5e85c-3e43-4871-98cc-44649fa12ba8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a6b98db-4bc6-480a-9a8f-b53268ad3a77 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
eaadf966-2696-4ece-a0e6-76df951c6647 Environmental → Air → Indoor EF 3.1 kg 2
99dca012-fd17-4f39-b92a-ab983e5cdb49 Environmental → Air → Long-term EF 3.1 kg 0
537266a0-9542-4ff1-b584-00077b405289 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
20454a57-81ce-4b52-bafa-c341911f17b3 Environmental → Air → Unknown EF 3.1 kg 2
4df08c51-216e-4636-8f96-dbbbec572480 Environmental → Ground → Agricultural EF 3.1 kg 2
c58add9f-ac61-4b94-81e0-6628eaeba8c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b8e78a6-7f7a-40bb-8304-3d97ac098046 Environmental → Ground → Unknown EF 3.1 kg 2
24e8aae1-15e3-4fb4-8c07-ac718b1d9cf3 Environmental → Water → Long-term EF 3.1 kg 0
15fa40ce-a898-4164-bf27-4d21372da24f Environmental → Water → Ocean EF 3.1 kg 2
a3572010-8114-4c33-b9d2-1fc7faef3942 Environmental → Water → Surface water EF 3.1 kg 2
a15d32b6-0373-4342-9d0f-a8485e0094bc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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        "https://echa.europa.eu/search-for-chemicals?query=222-323-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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