Consensus flow list

Identity

Type
Neutral molecule
CAS
54839-24-6
EC
259-370-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-ethoxy-1-methylethyl Acetate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LIPRQQHINVWJCH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-ethoxy-1-methylethyl Acetate
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.094294
SMILES string chemrof:smiles_string CCOCC(C)OC(C)=O

Known URLs

9

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=54839-24-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.955 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1574 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40866445 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P354ELO34V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.100D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/171378 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3272 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q11849425 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4e08e2eb-3f2c-4c19-acb8-f9b3f254c1d3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
393275ea-3898-4b94-a0e5-2c4336dd4ff9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c0ab63bd-baa0-4fa6-a4f9-0d7b81086566 Environmental → Air → Indoor EF 3.1 kg 4
11b4047f-792d-4312-89f2-bd99e3139d07 Environmental → Air → Long-term EF 3.1 kg 0
7b2eedf6-d20e-4ec9-819e-e038cfc3217a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e617bc12-6d42-4970-9aaa-3e71c6c84dc4 Environmental → Air → Unknown EF 3.1 kg 4
fdd7848f-4092-4b47-97cf-425d50f1b66c Environmental → Ground → Agricultural EF 3.1 kg 4
71d97453-c513-46de-9e77-48f64612e2c2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4dc87dbe-5307-43c0-bb7b-d3fdb51307ab Environmental → Ground → Unknown EF 3.1 kg 4
1618eaa7-033a-4a2f-ba29-d941ce692484 Environmental → Water → Long-term EF 3.1 kg 0
5b29c334-c0b2-4d59-94f1-0a2f69b9bf24 Environmental → Water → Ocean EF 3.1 kg 4
e2e6765c-907d-414c-b28c-a624f3eb8833 Environmental → Water → Surface water EF 3.1 kg 4
6fb31b85-f244-4cc4-a3cc-8afbdf6282b2 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-e9617b3dca3b1af9",
  "prefLabel": [
    {
      "@value": "2-ethoxy-1-methylethyl Acetate",
      "@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-Ethoxypropan-2-yl acetate",
      "@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=54839-24-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Acetoxy-1-ethoxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-ethoxy-, 2-acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-ethoxy-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "C7H14O3"
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    },
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      ],
      "provenance": [
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "attested_by": {
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        ]
      },
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  },
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  "created_from": {
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  "@type": [
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}

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