Consensus flow list

Identity

Type
Neutral molecule
CAS
867-13-0
EC
212-757-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl (diethoxyphosphoryl)acetate

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GGUBFICZYGKNTD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name Ethyl (diethoxyphosphoryl)acetate
Molecular formula chemrof:molecular_formula C8H17O5P
Molecular mass chemrof:molecular_mass 224.193
Monoisotopic mass chemrof:monoisotopic_mass 224.08136
SMILES string chemrof:smiles_string CCOC(=O)CP(=O)(OCC)OCC

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=867-13-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.598 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041573 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=13898 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16128 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185304 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/022826171T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.207E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13345 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7841458 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triethyl_phosphonoacetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
04883bea-f5a4-4906-a517-fd638455a171 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
db2413ee-5924-4fa1-a0af-4c8a163bcdc9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9c6bdb4e-6937-4f4d-80d1-aa55c855bd2a Environmental → Air → Indoor EF 3.1 kg 4
d27323ee-648f-4ff1-a87a-513c49610bd0 Environmental → Air → Long-term EF 3.1 kg 0
07388383-4859-43d7-a4d6-de2c6deffd2f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
54bcaaa2-1b93-4db1-8675-1a6f187b2850 Environmental → Air → Unknown EF 3.1 kg 4
fd2212bd-5f4d-4c08-aaa4-606090bfd804 Environmental → Ground → Agricultural EF 3.1 kg 4
e1fcc582-cacb-4113-970b-534268399436 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e667c7fb-60d2-4047-a021-450d59bed3ef Environmental → Ground → Unknown EF 3.1 kg 4
606047e2-1ea3-4f24-9b96-c246e7ce25ed Environmental → Water → Long-term EF 3.1 kg 0
38135824-6682-4c20-93a1-5968646454c6 Environmental → Water → Ocean EF 3.1 kg 4
ba11f72d-f8a1-4ed3-9e80-3aa045ce5271 Environmental → Water → Surface water EF 3.1 kg 4
ec7b0112-ceb0-4645-8724-f0856d9cacf1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8c1986dfb2035a82",
  "prefLabel": [
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      "@value": "Ethyl (diethoxyphosphoryl)acetate",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Diethoxyphosphinyl)acetic acid ethyl ester",
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        ],
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      }
    },
    {
      "@value": "(Diethoxyphosphoryl)acetic acid ethyl ester",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Ethoxycarbonylmethyl)diethoxyphosphine oxide",
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        ],
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      }
    },
    {
      "@value": "2-(Diethoxyphosphinyl)acetic acid ethyl ester",
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      }
    },
    {
      "@value": "2-Phosphonoacetic acid triethyl ester",
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      }
    },
    {
      "@value": "Acetic acid, (diethoxyphosphinyl)-, ethyl ester",
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    },
    {
      "@value": "Acetic acid, 2-(diethoxyphosphinyl)-, ethyl ester",
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        ],
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      }
    },
    {
      "@value": "Acetic acid, phosphono-, triethyl ester",
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        ],
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      }
    },
    {
      "@value": "Carbethoxymethyldiethyl phosphonate",
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        ],
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      }
    },
    {
      "@value": "Diethyl 2-ethoxy-2-oxoethylphosphonate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Diethyl carbethoxymethylphosphonate",
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        ],
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      }
    },
    {
      "@value": "Diethyl ethoxycarbonylmethanephosphonate",
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    },
    {
      "@value": "Diethyl phosphonoacetic acid ethyl ester",
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    },
    {
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    },
    {
      "@value": "Ethyl (diethylphosphono)acetate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 2-(diethoxylphosphoryl)acetate",
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl 2-(diethoxyphosphoryl)acetate",
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    },
    {
      "@value": "Ethyl 2-(diethylphosphono)acetate",
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    },
    {
      "@value": "Ethyl diethoxyphosphoryl acetate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl α-diethylphosphonoacetate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonoacetic acid triethyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triethyl 2-phosphonoacetate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triethyl phosphonacetate",
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      }
    },
    {
      "@value": "Triethyl phosphonoacetate",
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  ],
  "properties": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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