Consensus flow list

Identity

Type
NeutralMolecule
CAS
40150-98-9
EC
464-400-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ibbal

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LXPWGAZYJHUWPM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
IUPAC name chemrof:IUPAC_name 4-(2-Methylpropyl)benzaldehyde
Molecular formula chemrof:molecular_formula C11H14O
Molecular mass chemrof:molecular_mass 162.232
Monoisotopic mass chemrof:monoisotopic_mass 162.104465
SMILES string chemrof:smiles_string CC(C)Cc1ccc(C=O)cc1

Known URLs

7

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=40150-98-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.791 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.818 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6074960 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J383.013F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/577537 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72485006 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
005b7b6d-7f04-4f67-bc43-c09169988eed Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cebffe2c-1178-48af-9c2c-4eafc86951ba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1827ad4f-750e-410f-8f1a-a74255551a10 Environmental → Air → Indoor EF 3.1 kg 4
3a1a49c1-44aa-492e-a117-e545e568d359 Environmental → Air → Long-term EF 3.1 kg 0
3cf19141-31e1-4208-b2bf-5c3ae6da47ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
977abf52-cb5c-447c-8af0-aa7778e09511 Environmental → Air → Unknown EF 3.1 kg 4
f9b00471-e27e-493a-bcb5-86c74d1754ef Environmental → Ground → Agricultural EF 3.1 kg 4
c98ad4de-46ed-4703-ae76-52e99ec58bdc Environmental → Ground → Non-agricultural EF 3.1 kg 4
4f936e03-ab2a-434f-9152-27c09db60deb Environmental → Ground → Unknown EF 3.1 kg 4
aec9c01b-a5e9-4095-8396-1f533ea5e969 Environmental → Water → Long-term EF 3.1 kg 0
9f0becf6-862e-4eda-bf9b-15cdba204147 Environmental → Water → Ocean EF 3.1 kg 4
29b51fc3-f721-4596-924e-421f1bd34559 Environmental → Water → Surface water EF 3.1 kg 4
1ad0e0f7-6653-432b-9f42-8dbdbe4ba5c8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ed8deeb70c2fdc64",
  "prefLabel": [
    {
      "@value": "Ibbal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(2-Methylpropyl)benzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40150-98-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40150-98-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-i-Butylbenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40150-98-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Isobutylbenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 4-(2-methylpropyl)-",
      "@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": "p-(2-Methylpropyl)phenylaldehyde",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Isobutylbenzaldehyde",
      "@language": "en",
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      ],
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    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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      ],
      "attested_by": {
        "162.232": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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    }
  },
  "references": [
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  "created_from": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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