Consensus flow list

Identity

Type
Neutral molecule
CAS
6413-10-1
EC
229-114-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl (2-methyl-1,3-dioxolan-2-yl)acetate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XWEOGMYZFCHQNT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl (2-methyl-1,3-dioxolan-2-yl)acetate
Molecular formula chemrof:molecular_formula C8H14O4
Molecular mass chemrof:molecular_mass 174.196
Monoisotopic mass chemrof:monoisotopic_mass 174.089209
SMILES string chemrof:smiles_string CCOC(=O)CC1(C)OCCO1

Known URLs

11

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=6413-10-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.467 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041241 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6537 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-acetoacetate-ethyleneglycol-ketal enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G5EXI4NID0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.716F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/80865 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2388133 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1879409 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fructone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
09bac848-bad3-44c1-878e-1d8294ab0e72 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f0158dcf-2647-456e-a035-f72343cfd168 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d1014a39-4427-436e-8e72-8c79cfb4bdc7 Environmental → Air → Indoor EF 3.1 kg 2
eed1dc5c-5b55-48ca-9261-e94ad119c333 Environmental → Air → Long-term EF 3.1 kg 0
990aaef4-9bd9-41b7-b900-926968ad0a54 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5f4af29e-fb08-435a-8d73-f618ef36d6a3 Environmental → Air → Unknown EF 3.1 kg 2
f86cbae5-747a-4503-a4d9-58c2e6bca244 Environmental → Ground → Agricultural EF 3.1 kg 2
ce850868-162d-4e00-af69-b9d4d3412976 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9f06d189-96f3-483f-baac-c2791ade46a5 Environmental → Ground → Unknown EF 3.1 kg 2
1111883e-8e52-439e-bff8-116aac2e66e7 Environmental → Water → Long-term EF 3.1 kg 0
bea55d4e-31e8-4bb6-9891-28dd235fbc5c Environmental → Water → Ocean EF 3.1 kg 2
d2ad37fc-2c61-4fba-a736-0fc3ed6eec19 Environmental → Water → Surface water EF 3.1 kg 2
e5d4590c-2241-424c-ba94-cf15353a5589 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
{
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  "altLabel": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=6413-10-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "229-114-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=229-114-0"
      ],
      "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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