Consensus flow list

Identity

Type
Neutral molecule
CAS
139189-30-3
EC
432-770-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetrakis(2,6-dimethylphenyl)-m-phenylene Biphosphate

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YOLFSLXHLNWPKG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C38H40O8P2/c1-25-14-9-15-26(2)35(25)43-47(39,44-36-27(3)16-10-17-28(36)4)41-33-22-13-23-34(24-33)42-48(40,45-37-29(5)18-11-19-30(37)6)46-38-31(7)20-12-21-32(38)8/h9-24H,1-8H3
IUPAC name chemrof:IUPAC_name 1,3-Phenylene tetrakis(2,6-dimethylphenyl) diphosphate
Molecular formula chemrof:molecular_formula C38H40O8P2
Molecular mass chemrof:molecular_mass 686.678
Monoisotopic mass chemrof:monoisotopic_mass 686.219841
SMILES string chemrof:smiles_string Cc1cccc(C)c1OP(=O)(Oc1cccc(OP(=O)(Oc2c(C)cccc2C)Oc2c(C)cccc2C)c1)Oc1c(C)cccc1C

Known URLs

7

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=139189-30-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.102 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.095 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60108450 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.483.717E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9874767 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126673237 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07940378-3798-4b81-8e1c-6c1374b32758 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
119382fe-a540-4e4e-8847-8bc6d9ba7263 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
753b00c5-1566-4ad8-941a-f211bc65d326 Environmental → Air → Indoor EF 3.1 kg 4
250681ca-8042-4f6e-8a4b-17441c5e4c3c Environmental → Air → Long-term EF 3.1 kg 0
9d81b118-56fc-47cf-b986-f22d21b6dfb7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
955c0b56-2df8-4f4b-b257-cba801e7fbf1 Environmental → Air → Unknown EF 3.1 kg 4
3d18fafc-41d3-4199-9660-8e0607f0294b Environmental → Ground → Agricultural EF 3.1 kg 4
75845e7c-7bf1-4782-9f52-d7d99470db97 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c410be44-041b-4556-8e94-d0430ee54087 Environmental → Ground → Unknown EF 3.1 kg 4
5c5c99b5-3fad-4ab9-a027-612b4d3bd86d Environmental → Water → Long-term EF 3.1 kg 0
7acdc813-69f2-42f3-aafd-a6ab9f615c3e Environmental → Water → Ocean EF 3.1 kg 4
c46d3733-9a90-4524-8167-5ccb7455f7a9 Environmental → Water → Surface water EF 3.1 kg 4
765e0c4b-fca7-42b4-9fd5-f473d27423e5 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-de42c0c73948d146",
  "prefLabel": [
    {
      "@value": "Tetrakis(2,6-dimethylphenyl)-m-phenylene Biphosphate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Phenylene tetrakis(2,6-dimethylphenyl) diphosphate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Phenylenebis(2,6-dimethylphenyl phosphate)",
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      }
    },
    {
      "@value": "ADK Stab FP 500",
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      }
    },
    {
      "@value": "HPP",
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    },
    {
      "@value": "Phosphoric acid, 1,3-phenylene tetrakis(2,6-dimethylphenyl) ester",
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        ],
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      }
    },
    {
      "@value": "Phosphoric acid, P,P′-1,3-phenylene P,P,P′,P′-tetrakis(2,6-dimethylphenyl) ester",
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      }
    },
    {
      "@value": "RDX (phosphate)",
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      }
    },
    {
      "@value": "Resorcinol bis(di-2,6-xylenyl phosphate)",
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      }
    },
    {
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      }
    },
    {
      "@value": "Resorcinol di(2,6-dixylenyl phosphate)",
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    },
    {
      "@value": "RXP",
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      }
    },
    {
      "@value": "Tetra(2,6-dimethylphenyl) resorcinol bisphosphate",
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      }
    },
    {
      "@value": "Tetrakis(2,6-dimethylphenyl) m-phenylene bisphosphate",
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    },
    {
      "@value": "Tetrakis(2,6-dimethylphenyl) m-phenylene diphosphate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrakis(2,6-dimethylphenyl)-1,3-phenylene bisphosphate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrakis(2,6-xylyl) m-phenylene diphosphate",
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  ],
  "properties": {
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        "C38H40O8P2"
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            "Cc1cccc(C)c1OP(=O)(Oc1cccc(OP(=O)(Oc2c(C)cccc2C)Oc2c(C)cccc2C)c1)Oc1c(C)cccc1C"
          ]
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "YOLFSLXHLNWPKG-UHFFFAOYSA-N"
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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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",
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        }
      ],
      "attested_by": {
        "686.219841": [
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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