Consensus flow list

Identity

Type
Neutral molecule
CAS
106-63-8
EC
203-417-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isobutyl Acrylate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CFVWNXQPGQOHRJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
IUPAC name chemrof:IUPAC_name Isobutyl Acrylate
Molecular formula chemrof:molecular_formula C7H12O2
Molecular mass chemrof:molecular_mass 128.171
Monoisotopic mass chemrof:monoisotopic_mass 128.08373
SMILES string chemrof:smiles_string C=CC(=O)OCC(C)C

Known URLs

12

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=106-63-8 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26335-74-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.108 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021873 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20949 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1606107 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U02509V73F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253609 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.774I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7819 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2527 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q343017 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
139b7d5e-9499-43d5-9fb1-7d46c244cd8b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5521e09e-b80a-47a6-984e-6732127b029c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bee00ffd-7625-4f5e-974d-c08ac0c068ee Environmental → Air → Indoor EF 3.1 kg 4
4f26d333-002f-4468-9c02-feb27b112de1 Environmental → Air → Long-term EF 3.1 kg 0
d1663aea-e9ce-43ee-96c5-c0e15d944b02 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e4f36fb5-85a8-453d-93ed-4858f09c4635 Environmental → Air → Unknown EF 3.1 kg 4
1a9c3fa1-f9b7-4738-be4c-2196c4243667 Environmental → Ground → Agricultural EF 3.1 kg 4
51163586-20dc-4fe4-9c5c-a9557fdbb2cb Environmental → Ground → Non-agricultural EF 3.1 kg 4
6adc09f0-665f-4c2e-91f2-43996d9d476b Environmental → Ground → Unknown EF 3.1 kg 4
a7cf39fe-3fc6-4988-98c9-18a5415539a1 Environmental → Water → Long-term EF 3.1 kg 0
20e608f5-4f72-49f7-86c8-7acbe9ee8f1a Environmental → Water → Ocean EF 3.1 kg 4
a4eff99f-2bb3-470e-b089-bf9ea2bca182 Environmental → Water → Surface water EF 3.1 kg 4
a6c79435-6207-4b44-a62c-2c8728667e6a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-93e28637677db356",
  "prefLabel": [
    {
      "@value": "Isobutyl Acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methylpropyl prop-2-enoate",
      "@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=106-63-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methylpropyl ester",
      "@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": "Acrylic acid, isobutyl ester",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isobutyl 2-propenoate",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Light Acrylate AIB",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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