Consensus flow list

Identity

Type
Neutral molecule
CAS
157859-20-6
EC
457-670-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tri(isopropyl)silyl Acrylate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PQSIXYSSKXAOFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h8-11H,1H2,2-7H3
IUPAC name chemrof:IUPAC_name Tri(isopropyl)silyl Acrylate
Molecular formula chemrof:molecular_formula C12H24O2Si
Molecular mass chemrof:molecular_mass 228.408
Monoisotopic mass chemrof:monoisotopic_mass 228.154557
SMILES string chemrof:smiles_string C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C

Known URLs

6

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=157859-20-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.581 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10166323 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.498.805J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/167468 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72513661 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9ee7ec21-a135-4014-b84f-a918049d6d12 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4560fc80-c884-4706-a7ab-9369bd2b5ee5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
99f5d32d-7e54-41a6-8fc4-0c8fbeffd5e4 Environmental → Air → Indoor EF 3.1 kg 4
b021a95a-ba3f-48ab-9b84-07ce67e2b228 Environmental → Air → Long-term EF 3.1 kg 0
023e5cc2-e0c7-4d8d-ae98-966f2ffb81c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c781ebe4-9073-4765-a958-a0a5a16e03fe Environmental → Air → Unknown EF 3.1 kg 4
d41488d0-69de-4d55-ba51-d948d777a671 Environmental → Ground → Agricultural EF 3.1 kg 4
5297bbab-62f9-4fb5-a23b-e2d66c879fa1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
80dda110-72b6-4a13-a8f6-f3c48dd1610e Environmental → Ground → Unknown EF 3.1 kg 4
53cbc837-d297-4fd0-bbc6-206a37c7e8fe Environmental → Water → Long-term EF 3.1 kg 0
ad2c12e5-e9dc-4c08-b6f4-dd199d5659bd Environmental → Water → Ocean EF 3.1 kg 4
1564b9a6-470b-4d55-98e4-ebde0280c569 Environmental → Water → Surface water EF 3.1 kg 4
1367b145-f2a4-4a4c-b610-8ff242c42ea5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0826cebfc0e3c35d",
  "prefLabel": [
    {
      "@value": "Tri(isopropyl)silyl Acrylate",
      "@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": "2-Propenoic acid, tris(1-methylethyl)silyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:157859-20-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=157859-20-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methacrylic acid triisopropylsilyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:157859-20-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=157859-20-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(1-methylethyl)silyl 2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H24O2Si"
      ],
      "attested_by": {
        "C12H24O2Si": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C"
      ],
      "provenance": [
        {
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          ]
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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          ]
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      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Tri(isopropyl)silyl Acrylate": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_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": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C"
          ]
        }
      ],
      "attested_by": {
        "228.154557": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "023e5cc2-e0c7-4d8d-ae98-966f2ffb81c0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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