Consensus flow list

Identity

Type
NeutralMolecule
CAS
25321-09-9
EC
246-835-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Di(propan-2-yl)benzene

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BXMLLOTYMRYOPB-UHFFFAOYSA-N, OKIRBHVFJGXOIS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3
IUPAC name chemrof:IUPAC_name Di(propan-2-yl)benzene
Molecular formula chemrof:molecular_formula C12H18, C36H54
SMILES string chemrof:smiles_string CC(C)c1ccccc1C(C)C

Known URLs

14

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=25321-09-9 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=577-55-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.558 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.563 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1714 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30860336 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188905 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6E5460R9HG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.882K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130697 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11345 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23424232 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27264653 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3c47a8f3-e601-499c-ace1-2ee37dd987ae Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0cd8660b-b89b-4e4e-b901-be01360a100f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e844d71e-1182-4940-9ae4-9b5fef9278f4 Environmental → Air → Indoor EF 3.1 kg 4
78eacd99-e20a-4f06-94c9-45626b038705 Environmental → Air → Long-term EF 3.1 kg 0
6e238edc-dc25-4c7a-9110-a02b84cdc6e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4ebdfcc2-1cd6-4d3f-9fd3-222c99195d2d Environmental → Air → Unknown EF 3.1 kg 4
4a155f9f-17d6-4084-835d-f2233161125f Environmental → Ground → Agricultural EF 3.1 kg 4
0111ca0b-19e4-4c3e-b3db-6c9c4529b51b Environmental → Ground → Non-agricultural EF 3.1 kg 4
c9a4d8d0-ac2a-4a3a-8ac8-95527a17960b Environmental → Ground → Unknown EF 3.1 kg 4
4ca561e6-ed81-4352-9fb8-045e1ab55a83 Environmental → Water → Long-term EF 3.1 kg 0
1e06e732-628d-46f4-8aea-a2b539ca2867 Environmental → Water → Ocean EF 3.1 kg 4
eec6c3cd-c387-4c0f-9005-f21f0454ae0f Environmental → Water → Surface water EF 3.1 kg 4
20ce0af0-3b4f-43be-94e6-2de383f6657f 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-e8da8a1c4d8c04bc",
  "prefLabel": [
    {
      "@value": "Di(propan-2-yl)benzene",
      "@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": "Benzene, bis(1-methylethyl)-",
      "@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=25321-09-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, diisopropyl-",
      "@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": "Bis(1-methylethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Bis(isopropyl)benzene",
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    },
    {
      "@value": "Diisopropylbenzene",
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      "attested_by": {
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}

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