Consensus flow list

Identity

Type
Neutral molecule
CAS
931419-77-1
EC
700-067-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl Dodecanoate/n

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OIOXSPCSRJPJNN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-20(24)26-19-21(2,3)18-22-14-16-25-17-15-23/h18,23H,4-17,19H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate
Molecular formula chemrof:molecular_formula C21H41NO4
Molecular mass chemrof:molecular_mass 371.562
Monoisotopic mass chemrof:monoisotopic_mass 371.303559
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO

Known URLs

5

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=931419-77-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.903 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60893793 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89999478 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81987763 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
245f2210-0913-45eb-ab9a-fdf3eb6a2223 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1956f930-f045-4414-957a-1c8548b7155c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8ccc9e89-e0cd-4968-99c7-08094f80bd19 Environmental → Air → Indoor EF 3.1 kg 2
bc94f5e4-555e-44f3-a6de-b8821f3d439d Environmental → Air → Long-term EF 3.1 kg 0
f7345bfc-043a-4b4b-bff0-d19a29ea8b9c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
41602e6a-7ca6-444e-88af-6a234b5dc7be Environmental → Air → Unknown EF 3.1 kg 2
c804a7c7-d438-49f9-a5c7-680141a65c89 Environmental → Ground → Agricultural EF 3.1 kg 2
051b5c0e-b39e-4530-a801-0c898b4b303a Environmental → Ground → Non-agricultural EF 3.1 kg 2
968aeedd-7349-4600-a2df-5b70a60c89f3 Environmental → Ground → Unknown EF 3.1 kg 2
15c6a403-1985-4266-a78e-9346d5ba7989 Environmental → Water → Long-term EF 3.1 kg 0
b532f8f5-3a04-4abf-a3e8-f3cb09adf88c Environmental → Water → Ocean EF 3.1 kg 2
c6322df5-695c-4fb8-897a-efe8296e87cd Environmental → Water → Surface water EF 3.1 kg 2
944d4d0a-cced-4c6f-a03e-00e2ab22ffb6 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
{
  "flow_object_id": "fo-71842226a4761fd1",
  "prefLabel": [
    {
      "@value": "3-(2-(2-hydroxyethoxy)ethylimino)-2,2-dimethylpropyl Dodecanoate/n",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-[[2-(2-Hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl dodecanoate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, 3-[[2-(2-hydroxyethoxy)ethyl]imino]-2,2-dimethylpropyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C21H41NO4"
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      },
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        },
        {
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          ]
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        },
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    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          ]
        },
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          ]
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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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"
    }
  },
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  "created_from": {
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    "seed_uuid": "051b5c0e-b39e-4530-a801-0c898b4b303a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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