Consensus flow list

Identity

Type
Neutral molecule
CAS
98-82-8
EC
202-704-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cumene

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RWGFKTVRMDUZSP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name Cumene
Molecular formula chemrof:molecular_formula C9H12
Molecular mass chemrof:molecular_mass 120.195
Monoisotopic mass chemrof:monoisotopic_mass 120.0939
SMILES string chemrof:smiles_string CC(C)c1ccccc1

Known URLs

26

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=101316-43-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-82-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/GR82D818.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34656 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.458 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.099.796 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0170 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021827 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8776 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1398949 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8Q54S3XE7K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034029 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2902.70.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.581E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14396 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14396 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46330 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD0-2360 enrich_references.chebi_xrefs
patent patent:KR20140001929 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7406 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1918 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19340095 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24441387 enrich_references.chebi_xrefs
reaxys reaxys:1236613 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q410107 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cumene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
08a91e70-3ddc-11dd-928d-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 5
08a91e70-3ddc-11dd-928b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 5
bc366e1c-0f66-4932-ba6d-ed5a36524bf7 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-928a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
08a91e70-3ddc-11dd-928c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 5
08a91e70-3ddc-11dd-a2a2-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 5
08a91e70-3ddc-11dd-a2a0-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-988e-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-a2a1-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9777-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-988f-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
a60bfdfb7021b350f6d1a6c33823cfac9ba2e648 Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-928e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
8a73b4d32a2ef8165e3c74759572ce7672367edf Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-988d-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-fea65e35c4267bb8",
  "prefLabel": [
    {
      "@value": "Cumene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(propan-2-yl)benzene",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-Phenylpropane",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzene, (1-methylethyl)-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cumol",
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      }
    },
    {
      "@value": "i-Propylbenzene",
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    },
    {
      "@value": "Isopropylbenzene",
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      "provenance": {
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