Consensus flow list

Identity

Type
Neutral molecule
CAS
13641-96-8
EC
482-140-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-isocyanatoethyl Acrylate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DPNXHTDWGGVXID-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2
IUPAC name chemrof:IUPAC_name 2-isocyanatoethyl Acrylate
Molecular formula chemrof:molecular_formula C6H7NO3
Molecular mass chemrof:molecular_mass 141.126
Monoisotopic mass chemrof:monoisotopic_mass 141.042593
SMILES string chemrof:smiles_string C=CC(=O)OCCN=C=O

Known URLs

8

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=117229-85-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=13641-96-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.368 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.648 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2075184 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J799.564D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3014768 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72502350 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3890c479-dee6-48c0-9ef3-11c28474e014 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a4fed2b5-da9e-4d49-8fb6-785ff5004f9b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
eba310e9-151c-4e02-8829-a98bf15cb006 Environmental → Air → Indoor EF 3.1 kg 2
57e184b5-5e81-4ee5-b2f4-6055fe9e1063 Environmental → Air → Long-term EF 3.1 kg 0
f056a1ba-5129-456b-98f4-eec57661c9d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
78096be0-c16a-4cb3-bbd7-0be3246be8f1 Environmental → Air → Unknown EF 3.1 kg 2
c225d8a2-f751-456a-9084-deb717e2e47e Environmental → Ground → Agricultural EF 3.1 kg 2
8a404e36-fead-498d-a189-f2df574d2e40 Environmental → Ground → Non-agricultural EF 3.1 kg 2
aa6ce2ca-5ce0-45e4-b76e-8c4eabbb78a6 Environmental → Ground → Unknown EF 3.1 kg 2
8551d0f9-f24a-475a-855e-9a8160bb6ad3 Environmental → Water → Long-term EF 3.1 kg 0
2894021d-219d-4f59-8a4f-f790101257f5 Environmental → Water → Ocean EF 3.1 kg 2
7449490b-b4e5-4030-84e7-5c78853604f1 Environmental → Water → Surface water EF 3.1 kg 2
fcc45206-3847-418b-a3bb-6156d2ae3267 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-8bd00196dc35095e",
  "prefLabel": [
    {
      "@value": "2-isocyanatoethyl Acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Acryloyloxyethyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13641-96-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Isocyanatoethyl prop-2-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-isocyanatoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylic acid, 2-isocyanatoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylic acid, ester with 2-hydroxyethyl isocyanate",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "Isocyanic acid 2-hydroxyethyl ester acrylate (ester)",
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    },
    {
      "@value": "Karenz AOI",
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    },
    {
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}

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