Consensus flow list

Identity

Type
NeutralMolecule
CAS
2049-95-8
EC
218-076-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (1,1-dimethylpropyl)benzene

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QHTJSSMHBLGUHV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name (1,1-dimethylpropyl)benzene
Molecular formula chemrof:molecular_formula C11H16
Molecular mass chemrof:molecular_mass 148.249
Monoisotopic mass chemrof:monoisotopic_mass 148.125201
SMILES string chemrof:smiles_string CCC(C)(C)c1ccccc1

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=2049-95-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.434 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7051848 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4025 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797417 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ER8C1TON3X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.201H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16295 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q63398938 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4368db0f-e7e9-4409-bd4f-b2eb0f9a2ddd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e0945586-ae26-4281-aeb8-ab1b90f4ccbe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f8261a98-aa9c-42be-b4b5-aec7baa993fc Environmental → Air → Indoor EF 3.1 kg 2
842c74e3-4ee7-4d0a-a61e-5bafff546cdc Environmental → Air → Long-term EF 3.1 kg 0
cf3dce45-2c0a-4321-bf2b-3d171f9058f1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ccbec6fe-c95b-4ad2-8f21-57fe3545302f Environmental → Air → Unknown EF 3.1 kg 2
b8ccc2c4-63d4-474a-8885-fb820f1a7056 Environmental → Ground → Agricultural EF 3.1 kg 2
1c7861e0-0190-4baa-8297-f9491b67b13e Environmental → Ground → Non-agricultural EF 3.1 kg 2
26aa0d02-f65f-4bfe-b9e1-66da5cca98a7 Environmental → Ground → Unknown EF 3.1 kg 2
3dc53851-d113-4577-abae-c802d71ac588 Environmental → Water → Long-term EF 3.1 kg 0
52ee39b0-ed66-41a2-a08b-80892b41aee4 Environmental → Water → Ocean EF 3.1 kg 2
92353bf9-7b31-45a1-832d-e4cd42dd0f9d Environmental → Water → Surface water EF 3.1 kg 2
3b93411f-9550-4fce-8df2-db02f67286fd 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-b1342fba00b3964f",
  "prefLabel": [
    {
      "@value": "(1,1-dimethylpropyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Methylbutan-2-yl)benzene",
      "@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=2049-95-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-2-phenylbutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylbutan-2-ylbenzene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, (1,1-dimethylpropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    },
    {
      "@value": "Benzene, tert-pentyl-",
      "@language": "en",
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    },
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    {
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}

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