Consensus flow list

Silvex Isooctyl Ester

fo-1f9dea5083acfffa

Identity

Type
NeutralMolecule
CAS
32534-95-5
EC
251-085-8
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Silvex Isooctyl Ester

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SRBJAVRBALKTSV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H23Cl3O3/c1-11(2)7-5-4-6-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name Isooctyl 2-(2,4,5-trichlorophenoxy)propionate
Molecular formula chemrof:molecular_formula C17H23Cl3O3
Molecular mass chemrof:molecular_mass 381.727
Monoisotopic mass chemrof:monoisotopic_mass 380.071278
SMILES string chemrof:smiles_string CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl

Known URLs

1

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=32534-95-5 enrich_references.consensus_cas_link

Elementary flows

7
Flow Context Source Unit CFs
574cd7e4190c6f323d940e6ec754f6d3e1ff4399 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
1067d1d337e267e7cd203eb8883b8e5f5442ce68 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
a37cc7178c0166faa5b07853b886ff9d21808090 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
faca57b2d376993249ae78c676650d20da97269c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
193112b0dad10e477446b39ffd6c017d5b9b83d2 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
5b5455ff71ec5aa811dbf9525af69cbd7131da38 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
a5e85c4f51f9b8e82f7fb392e0cb938c58d0202a Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1f9dea5083acfffa",
  "prefLabel": [
    {
      "@value": "Silvex Isooctyl Ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Silvex isooctyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fenoprop-isoctyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-(2,4,5-Trichlorophenoxy)propionic acid isooctyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32534-95-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate"
        ]
      },
      "attested_by": {
        "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C17H23Cl3O3/c1-11(2)7-5-4-6-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Isooctyl 2-(2,4,5-trichlorophenoxy)propionate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C17H23Cl3O3/c1-11(2)7-5-4-6-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "SRBJAVRBALKTSV-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
        ]
      },
      "attested_by": {
        "SRBJAVRBALKTSV-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C17H23Cl3O3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
        ]
      },
      "attested_by": {
        "C17H23Cl3O3": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        381.727
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
        ]
      },
      "attested_by": {
        "381.727": [
          "rdkit_post_consensus"
        ]
      },
      "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": [
        380.071278
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl"
        ]
      },
      "attested_by": {
        "380.071278": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "32534-95-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1d69040d-87b3-500e-8d0f-d2307c688078",
    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "32534-95-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=32534-95-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "251-085-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-085-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.