Triethoxy(2,4,4-trimethylpentyl)silane

← Back to consensus flows

Triethoxy(2,4,4-trimethylpentyl)silane

UUID f6ab12fc-fcec-41e1-9667-65a63972abb7

Flow Object ID fo-2211cd652a27e3de

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 35435-21-3

EC Numbers 252-558-1

prefLabel

Language	Value	Provenance
`en`	`Triethoxy(2,4,4-trimethylpentyl)silane`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2,4,4-Trimethylpentyl)triethoxysilane`
`en`	`1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane`
`en`	`BS 1701`
`en`	`Silane, triethoxy(2,4,4-trimethylpentyl)-`
`en`	`Silres BS 1701`

References

Shared Properties

Predicate	Value
InChIKey	`DZOKVCBQKOQRAD-UHFFFAOYSA-N, HXOGQBSDPSMHJK-UHFFFAOYSA-N, UWZSHGZRSZICIW-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H32O3Si/c1-6-15-18(16-7-2,17-8-3)13-11-9-10-12-14(4)5/h14H,6-13H2,1-5H3, InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3, InChI=1S/C18H22ClN5O2S/c19-15-4-2-1-3-14(15)11-27-18-16-17(20-12-21-18)24(13-22-16)6-5-23(7-9-25)8-10-26/h1-4,12-13,25-26H,5-11H2`
IUPAC name	`2-[2-[6-[(2-chlorobenzyl)thio]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol, 2-[2-[6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol, 2-[2-[6-[(2-chlorophenyl)methylthio]-9-purinyl]ethyl-(2-hydroxyethyl)amino]ethanol, triethoxy(2,4,4-trimethylpentyl)silane, triethoxy(6-methylheptyl)silane`
Molecular formula	`C14H32O3Si, C18H22ClN5O2S`
SMILES	`C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCN(CCO)CCO)Cl, CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC, CCO[Si](CCCCCC(C)C)(OCC)OCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f6ab12fc-fcec-41e1-9667-65a63972abb7`	triethoxy(2,4,4-trimethylpentyl)silane

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	triethoxy(2,4,4-trimethylpentyl)silane	Emissions/Emissions to air/Emissions to air, indoor	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=triethoxy(2,4,4-trimethylpentyl)silane\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=35435-21-3; added Common Chemistry CAS names as altLabel: (2,4,4-Trimethylpentyl)triethoxysilane, 1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane, BS 1701, Silane, triethoxy(2,4,4-trimethylpentyl)-, Silres BS 1701; object_uuid=fo-2211cd652a27e3de
`cas_match_labels`	1	`—`	consensus_match	group_key=triethoxy(2,4,4-trimethylpentyl)silane\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'35435-21-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2211cd652a27e3de: {'35435-21-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
indoor	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(2,4,4-Trimethylpentyl)triethoxysilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35435-21-3', 'https://commonchemistry.cas.org/detail?cas_rn=35435-21-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35435-21-3', 'https://commonchemistry.cas.org/detail?cas_rn=35435-21-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BS 1701', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35435-21-3', 'https://commonchemistry.cas.org/detail?cas_rn=35435-21-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silane, triethoxy(2,4,4-trimethylpentyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35435-21-3', 'https://commonchemistry.cas.org/detail?cas_rn=35435-21-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Silres BS 1701', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35435-21-3', 'https://commonchemistry.cas.org/detail?cas_rn=35435-21-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=triethoxy(2,4,4-trimethylpentyl)silane\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=35435-21-3; added Common Chemistry CAS names as altLabel: (2,4,4-Trimethylpentyl)triethoxysilane, 1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane, BS 1701, Silane, triethoxy(2,4,4-trimethylpentyl)-, Silres BS 1701; object_uuid=fo-2211cd652a27e3de
`cas_match_labels`	`None`	`{'35435-21-3': 'exactMatch'}`	group_key=triethoxy(2,4,4-trimethylpentyl)silane\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'35435-21-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2211cd652a27e3de: {'35435-21-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "f6ab12fc-fcec-41e1-9667-65a63972abb7",
  "name": null,
  "cas_numbers": [
    "35435-21-3"
  ],
  "ec_numbers": [
    "252-558-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.062678
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.12e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.12e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.062678
    }
  ],
  "source": "EF 3.1",
  "identifier": "f6ab12fc-fcec-41e1-9667-65a63972abb7",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "f6ab12fc-fcec-41e1-9667-65a63972abb7",
      "source_flow_name": "triethoxy(2,4,4-trimethylpentyl)silane",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Triethoxy(2,4,4-trimethylpentyl)silane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H32O3Si",
        "C18H22ClN5O2S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694",
          "CID:248295",
          "CID:22508313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DZOKVCBQKOQRAD-UHFFFAOYSA-N",
        "HXOGQBSDPSMHJK-UHFFFAOYSA-N",
        "UWZSHGZRSZICIW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694",
          "CID:248295",
          "CID:22508313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCN(CCO)CCO)Cl",
        "CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC",
        "CCO[Si](CCCCCC(C)C)(OCC)OCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694",
          "CID:248295",
          "CID:22508313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H32O3Si/c1-6-15-18(16-7-2,17-8-3)13-11-9-10-12-14(4)5/h14H,6-13H2,1-5H3",
        "InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3",
        "InChI=1S/C18H22ClN5O2S/c19-15-4-2-1-3-14(15)11-27-18-16-17(20-12-21-18)24(13-22-16)6-5-23(7-9-25)8-10-26/h1-4,12-13,25-26H,5-11H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694",
          "CID:248295",
          "CID:22508313"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-[2-[6-[(2-chlorobenzyl)thio]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol",
        "2-[2-[6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol",
        "2-[2-[6-[(2-chlorophenyl)methylthio]-9-purinyl]ethyl-(2-hydroxyethyl)amino]ethanol",
        "triethoxy(2,4,4-trimethylpentyl)silane",
        "triethoxy(6-methylheptyl)silane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694",
          "CID:248295",
          "CID:22508313"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.615A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.047.766",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "35435-21-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50289863",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:248295;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70865769",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65006",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:248295;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/169694",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[35435-21-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/22508313",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:22508313;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[35435-21-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/248295",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:248295;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[35435-21-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72510598",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:169694;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82027371",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:248295;CAS:35435-21-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35435-21-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2,4,4-Trimethylpentyl)triethoxysilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35435-21-3",
          "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,1-Triethoxy-3,5,5-trimethyl-1-silahexane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35435-21-3",
          "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BS 1701",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35435-21-3",
          "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, triethoxy(2,4,4-trimethylpentyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35435-21-3",
          "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silres BS 1701",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35435-21-3",
          "https://commonchemistry.cas.org/detail?cas_rn=35435-21-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "35435-21-3": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/f6ab12fc-fcec-41e1-9667-65a63972abb7",
        "skos:prefLabel": "triethoxy(2,4,4-trimethylpentyl)silane",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/f6ab12fc-fcec-41e1-9667-65a63972abb7"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-2211cd652a27e3de"
}