Consensus flow list

Identity

Type
NeutralMolecule
CAS
1746-23-2
EC
217-126-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-tert-butyl-4-vinylbenzene

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QEDJMOONZLUIMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
IUPAC name chemrof:IUPAC_name 1-tert-butyl-4-vinylbenzene
Molecular formula chemrof:molecular_formula C12H16
Molecular mass chemrof:molecular_mass 160.26
Monoisotopic mass chemrof:monoisotopic_mass 160.125201
SMILES string chemrof:smiles_string C=Cc1ccc(C(C)(C)C)cc1

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=1746-23-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26009-55-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.570 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0022305 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183165 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9PCT9CBW0V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J112.945G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15627 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272862 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
565fd580-8561-488b-a553-59ed2b5d18be Environmental → Air → Aircraft cruise height EF 3.1 kg 2
019bb216-7fe9-450e-be9d-17209d42a5a9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
38e7d342-f1db-4af8-983f-4afa9644fe79 Environmental → Air → Indoor EF 3.1 kg 2
af17ffc2-a1cd-4330-ae79-c4a0dd0f5ded Environmental → Air → Long-term EF 3.1 kg 0
87b0e201-c7a1-42c9-a3c2-2570ca6125c6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d1658ba6-07fc-46a5-8db2-ca8db91a3378 Environmental → Air → Unknown EF 3.1 kg 2
f9bc1ea2-cefa-4888-a4aa-afb0d3c03389 Environmental → Ground → Agricultural EF 3.1 kg 2
7086d504-fa96-4f41-9762-dfc25de70fd9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a522d5bc-eb0b-4d99-9c99-2bebb2648f49 Environmental → Ground → Unknown EF 3.1 kg 2
ed4a6b79-04f4-467f-8698-2da9a9e09c1a Environmental → Water → Long-term EF 3.1 kg 0
0fc0d503-a8fb-4591-b17a-86d779ad991a Environmental → Water → Ocean EF 3.1 kg 2
addef954-6553-435e-983d-4417012e1899 Environmental → Water → Surface water EF 3.1 kg 2
494f96ea-0961-4aed-bb8a-e58295fcb6e2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-fdd3bf38a75cb500",
  "prefLabel": [
    {
      "@value": "1-tert-butyl-4-vinylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(1,1-Dimethylethyl)-4-ethenylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1746-23-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Ethenyl-4-tert-butylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-tert-Butyl-4-ethenylbenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-t-Butylstyrene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-tert-Butyl-1-ethenylbenzene",
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        ],
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      }
    },
    {
      "@value": "4-tert-Butylstyrene",
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        ],
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      }
    },
    {
      "@value": "Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-",
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    },
    {
      "@value": "p-t-Butylstyrene",
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    },
    {
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    {
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}

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