Consensus flow list

Identity

Type
NeutralMolecule
CAS
542-59-6
EC
208-821-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-hydroxyethyl Acetate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HXDLWJWIAHWIKI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 2-hydroxyethyl Acetate
Molecular formula chemrof:molecular_formula C4H8O3
Molecular mass chemrof:molecular_mass 104.105
Monoisotopic mass chemrof:monoisotopic_mass 104.047344
SMILES string chemrof:smiles_string CC(=O)OCCO

Known URLs

10

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=27613-77-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=542-59-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.020 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.261 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10862156 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9234 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I49SK86R9L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.510A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10960 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280417 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e040cd71-f70c-42f4-9573-5609c84ecb0e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c42a92b3-d319-45e5-aefb-cfc1ff015028 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e22aab76-4044-4bcd-b9ee-8d048cd8db67 Environmental → Air → Indoor EF 3.1 kg 2
52b6914e-b2fe-4aa2-8fa9-bc0f1fc92205 Environmental → Air → Long-term EF 3.1 kg 0
0af64a84-9f21-4bb3-9a2b-1001fc6d62b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
111f0177-8798-4faa-8700-dafc0728dd30 Environmental → Air → Unknown EF 3.1 kg 2
84e2f05b-5ba5-44d4-aeda-b043eae260ca Environmental → Ground → Agricultural EF 3.1 kg 2
d4043107-050d-46b8-8010-b62a5c3e38a7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4e62171b-fcfc-4533-9736-0ae57f3b39c0 Environmental → Ground → Unknown EF 3.1 kg 2
5d1cc7dc-3079-403a-9b8e-eefb6d0de482 Environmental → Water → Long-term EF 3.1 kg 0
012bc51c-456a-4af3-839a-0b539541f03d Environmental → Water → Ocean EF 3.1 kg 2
3da1e916-232f-4e04-9bde-0726ce76796f Environmental → Water → Surface water EF 3.1 kg 2
14f94b22-020c-4d22-ad19-b8cdc70dc74c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-709d8e9cc6478ac8",
  "prefLabel": [
    {
      "@value": "2-hydroxyethyl 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": "1,2-Ethanediol, 1-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=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Ethanediol, monoacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:542-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-O-Acetyl Ethylene Glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:542-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Acetoxyethanol",
      "@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=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol monoacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol, monoacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylenediol monoacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "Glycol monoacetate",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=542-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monoacetyl ethylene glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Hydroxyethyl acetate",
      "@language": "en",
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      "provenance": {
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      },
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}

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