Consensus flow list

Identity

Type
Neutral molecule
CAS
2082-81-7
EC
218-218-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Butane-1,4-diyl Bis(2-methylacrylate)

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XOJWAAUYNWGQAU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
IUPAC name chemrof:IUPAC_name Butane-1,4-diyl Bis(2-methylacrylate)
Molecular formula chemrof:molecular_formula C12H18O4
Molecular mass chemrof:molecular_mass 226.272
Monoisotopic mass chemrof:monoisotopic_mass 226.120509
SMILES string chemrof:smiles_string C=C(C)C(=O)OCCCCOC(=O)C(=C)C

Known URLs

10

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=2082-81-7 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27813-90-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28883-57-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.562 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4044870 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184875 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KX6732HE0U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J112.782I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16387 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27282479 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0f73cf0b-8889-4345-9911-dec6d3f1d1f6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1a6b707d-bd91-42e1-a333-e1e5b25ed546 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
510e8209-c56f-46b7-8984-67191b50b33b Environmental → Air → Indoor EF 3.1 kg 4
a8e6c90d-ab27-4101-9e9a-d7effe6117b1 Environmental → Air → Long-term EF 3.1 kg 0
ac1e0801-457c-4f6b-ab1a-a905a33e5513 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cb851256-128a-4688-bcb0-e3c24f4f045f Environmental → Air → Unknown EF 3.1 kg 4
2b050b12-641c-482f-85aa-df3df2b8a152 Environmental → Ground → Agricultural EF 3.1 kg 4
3afa1350-ede1-4996-9cda-e04252421739 Environmental → Ground → Non-agricultural EF 3.1 kg 4
aa56a115-020b-4d3c-9626-8196f183d45b Environmental → Ground → Unknown EF 3.1 kg 4
59813f8a-4a6f-440f-bd03-cc0d8c499c47 Environmental → Water → Long-term EF 3.1 kg 0
ec6ae08b-691a-4b1a-8f4e-4a396bd67a79 Environmental → Water → Ocean EF 3.1 kg 4
8c648529-9198-4e3a-8446-71c2d8d97bdd Environmental → Water → Surface water EF 3.1 kg 4
9824afa5-3fa5-418e-8544-212485916b14 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-2b7c8072cd84a762",
  "prefLabel": [
    {
      "@value": "Butane-1,4-diyl Bis(2-methylacrylate)",
      "@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": "1,4-Butanediol, dimethacrylate",
      "@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=2082-81-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Butylene dimethacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Butylene glycol dimethacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Tetramethylene dimethacrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, 1,1′-(1,4-butanediyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, 1,4-butanediyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BDDMA",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanediol dimethacrylate",
      "@language": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2082-81-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Light Ester 1.4BG",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, tetramethylene ester",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Mhoromer MFM 405",
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      }
    },
    {
      "@value": "n-Butane-1,4-diyl dimethacrylate",
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      }
    },
    {
      "@value": "NK Ester BD",
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        ],
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      }
    },
    {
      "@value": "Oligotetramethylene glycol dimethacrylate",
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        ],
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      }
    },
    {
      "@value": "Rhenofit BDMA/S",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetramethylene dimethacrylate",
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        ],
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      }
    },
    {
      "@value": "Tetramethylene glycol dimethacrylate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetramethylene methacrylate",
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      }
    },
    {
      "@value": "Visiomer 1,4-BDDMA",
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    },
    {
      "@value": "Visiomer BDDMA",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C12H18O4"
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    },
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        {
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    "https://w3id.org/chemrof/inchi2d_string": {
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  },
  "references": [
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