Consensus flow list

Identity

Type
Neutral molecule
CAS
3179-47-3
EC
221-657-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Decyl Methacrylate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GTBGXKPAKVYEKJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
IUPAC name chemrof:IUPAC_name Decyl Methacrylate
Molecular formula chemrof:molecular_formula C14H26O2
Molecular mass chemrof:molecular_mass 226.36
Monoisotopic mass chemrof:monoisotopic_mass 226.19328
SMILES string chemrof:smiles_string C=C(C)C(=O)OCCCCCCCCCC

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=29320-53-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3179-47-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.689 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024915 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20975 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1578928 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6FH245R509 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J107.759G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123666 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18510 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27264825 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1a0b3015-7866-4215-b671-f9741678482b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b5e30a19-6557-4616-a2e6-cf928262ed47 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
619e7319-5828-4ef3-b7f5-4d37e672d3fb Environmental → Air → Indoor EF 3.1 kg 4
df05c00b-1708-470b-96d9-aaef0785c0c4 Environmental → Air → Long-term EF 3.1 kg 0
5b569e4c-c594-484c-8fd1-7329e3a3fbd8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1d29f76a-48ec-4d7a-a9b4-a26a0cdedec4 Environmental → Air → Unknown EF 3.1 kg 4
92ce5d8d-83af-41a7-a02b-85f435e6d542 Environmental → Ground → Agricultural EF 3.1 kg 4
624a1415-ad30-4ae1-8957-c5faa0c150d5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f6ef1f20-9c28-4d11-ad75-0aa269da03ac Environmental → Ground → Unknown EF 3.1 kg 4
0cbd99ab-24bf-48f1-a382-9a2121858ac6 Environmental → Water → Long-term EF 3.1 kg 0
bf7af350-f173-4021-ba4f-064f3bdad899 Environmental → Water → Ocean EF 3.1 kg 4
e0453b5e-50b0-4415-a50e-ece4ae9a4828 Environmental → Water → Surface water EF 3.1 kg 4
550afc68-9ab2-48bd-982c-2d168dbb313d 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-0d06a441aedb14ed",
  "prefLabel": [
    {
      "@value": "Decyl Methacrylate",
      "@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": "2-Propenoic acid, 2-methyl-, decyl ester",
      "@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=3179-47-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Blemmer DMA",
      "@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=3179-47-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, decyl 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": "n-Decyl methacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    },
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          "prov:wasAttributedTo": "consensus-flow-list",
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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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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
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  },
  "references": [
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  "@type": [
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}

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