Consensus flow list

Identity

Type
Neutral molecule
CAS
98-06-6
EC
202-632-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tert-butylbenzene

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YTZKOQUCBOVLHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
IUPAC name chemrof:IUPAC_name Tert-butylbenzene
Molecular formula chemrof:molecular_formula C10H14
Molecular mass chemrof:molecular_mass 134.222
Monoisotopic mass chemrof:monoisotopic_mass 134.10955
SMILES string chemrof:smiles_string CC(C)(C)c1ccccc1

Known URLs

12

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=98-06-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.394 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3047138 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6557 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797277 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M1R2NME7S2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258847 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.279B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=124736 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7366 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q20950424 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Butylbenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4452875e-4614-4f42-9592-ce6006a4a734 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5fef45c1-61c0-4bcd-93f3-ccce9ada03df Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e5f179bd-019e-4a08-ad8e-77ad5b7fe131 Environmental → Air → Indoor EF 3.1 kg 2
338066c6-f8ec-4ff2-b633-96b8655e2956 Environmental → Air → Long-term EF 3.1 kg 0
07627727-8c19-481a-86a5-662daf4483ee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
372931cd-c3ba-4cc6-bc86-b1551aeecdeb Environmental → Air → Unknown EF 3.1 kg 2
2c306848-b071-4f3f-a489-912e9153bc80 Environmental → Ground → Agricultural EF 3.1 kg 2
fbf00143-3929-4ced-8756-7fd52b3a6e79 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5e9488d6-b4d1-46d5-939b-1202edfabf2d Environmental → Ground → Unknown EF 3.1 kg 2
3315041b-4968-4a53-86d9-8d85e6d72078 Environmental → Water → Long-term EF 3.1 kg 0
971f4e69-14b4-4c2d-8531-ccda34b4d295 Environmental → Water → Ocean EF 3.1 kg 2
2d65e115-32e4-4162-9685-ba0a7e088496 Environmental → Water → Surface water EF 3.1 kg 2
2fc939da-0de6-408d-a2b9-861d28d3f478 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-97cfe64433efb5df",
  "prefLabel": [
    {
      "@value": "Tert-butylbenzene",
      "@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": "(1,1-Dimethylethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:98-06-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-2-phenylpropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:98-06-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, (1,1-dimethylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, tert-butyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethylethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenyltrimethylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=98-06-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "t-Butylbenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trimethylphenylmethane",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    },
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
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  "@type": [
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}

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