Consensus flow list

Identity

Type
NeutralMolecule
CAS
2144-53-8
EC
218-407-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl Methacrylate

Alternative labels

23

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CDXFIRXEAJABAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3
IUPAC name chemrof:IUPAC_name 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl Methacrylate
Molecular formula chemrof:molecular_formula C12H9F13O2
Molecular mass chemrof:molecular_mass 432.176
Monoisotopic mass chemrof:monoisotopic_mass 432.039496
SMILES string chemrof:smiles_string C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Known URLs

9

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=2144-53-8 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31763-69-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.735 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3047558 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183267 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A3INR94K4A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J298.728G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75066 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273572 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f4869bae-c94d-4cb1-bd7e-94ff4f5303e9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
821363aa-6f78-4aad-a88c-746bc702fc99 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cd3114ac-b4c8-4912-9211-64958f927658 Environmental → Air → Indoor EF 3.1 kg 4
a8b9f24c-4f25-4b8e-8e09-3c8206c21f01 Environmental → Air → Long-term EF 3.1 kg 0
012dd811-8297-4ebe-9684-7f6905c37e93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5d09a46e-6941-4696-a93d-42b7a4131a66 Environmental → Air → Unknown EF 3.1 kg 4
ce01c916-13d4-43c7-9057-435c88b917cc Environmental → Ground → Agricultural EF 3.1 kg 4
da6fc2e3-a111-49a7-8279-33d212b77795 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2ba9b525-7dba-42a0-a9f5-2da3cea16144 Environmental → Ground → Unknown EF 3.1 kg 4
28e7c165-0daa-4d5d-81df-73eb16a2d281 Environmental → Water → Long-term EF 3.1 kg 0
b38ae958-7a14-4ed3-b47d-1626571d0004 Environmental → Water → Ocean EF 3.1 kg 4
654389cd-cec5-4ffe-a76c-08fd66d58b13 Environmental → Water → Surface water EF 3.1 kg 4
71324583-3339-427a-b089-c986240d2b61 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
{
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester",
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    },
    {
      "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate",
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      "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate",
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      }
    },
    {
      "@value": "6:2 FTMAC",
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    },
    {
      "@value": "Actyflon G 06B",
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        ],
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      }
    },
    {
      "@value": "C 6FMA",
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      }
    },
    {
      "@value": "C 6SFMA",
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      }
    },
    {
      "@value": "Capstone 62MA",
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        ],
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      }
    },
    {
      "@value": "Cheminox FAMAC 6",
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      }
    },
    {
      "@value": "FAMAC 6",
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      }
    },
    {
      "@value": "Fluowet MA 600",
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      }
    },
    {
      "@value": "MA-C 6F",
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      }
    },
    {
      "@value": "MAC 6F13",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tridecafluorohexylethyl methacrylate",
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      }
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  ],
  "properties": {
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        "C12H9F13O2"
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    },
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      },
      "attested_by": {
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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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