Consensus flow list

Identity

Type
Neutral molecule
CAS
74338-72-0
EC
422-520-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,4,4,7-tetramethyl-6-octen-3-one

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CTLDWNVYXLHMAS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3
IUPAC name chemrof:IUPAC_name 2,4,4,7-tetramethyl-6-octen-3-one
Molecular formula chemrof:molecular_formula C12H22O
Molecular mass chemrof:molecular_mass 182.307
Monoisotopic mass chemrof:monoisotopic_mass 182.167065
SMILES string chemrof:smiles_string CC(C)=CCC(C)(C)C(=O)C(C)C

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=74338-72-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.109 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.213.561 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9072789 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.977.540B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9815427 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82001015 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f25176d5-46d0-4c2f-9aac-92b1bf6c0223 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bfd34cfa-f552-4ebe-9e61-93f5ae22d34b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b010caf4-9b52-4c31-8c69-9eaad2a6b7a7 Environmental → Air → Indoor EF 3.1 kg 4
2f59abc4-8a30-41d2-b952-c8ed50e4ced7 Environmental → Air → Long-term EF 3.1 kg 0
b064bdef-06de-495e-bdd0-0c231a7061d1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c82d223b-75fb-4872-8c5d-3021a941b868 Environmental → Air → Unknown EF 3.1 kg 4
62a99ade-81b9-4c95-b917-b78a58fab364 Environmental → Ground → Agricultural EF 3.1 kg 4
63ba1185-4c6b-4822-9bb0-3d05df51f757 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3dac572e-d96c-4511-8c0c-1c6add3698aa Environmental → Ground → Unknown EF 3.1 kg 4
8c7d67a6-42f9-4db4-a5d1-1d9991177840 Environmental → Water → Long-term EF 3.1 kg 0
8321d880-ba20-48f1-88b9-9322c93a4333 Environmental → Water → Ocean EF 3.1 kg 4
79a8accd-e3e6-4cfb-997e-ea24717abcb1 Environmental → Water → Surface water EF 3.1 kg 4
63250610-1bd5-4dee-a3c1-fc7be898cda0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2a4c72cc1d11b89f",
  "prefLabel": [
    {
      "@value": "2,4,4,7-tetramethyl-6-octen-3-one",
      "@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": "6-Octen-3-one, 2,4,4,7-tetramethyl-",
      "@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=74338-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Claritone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
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  "properties": {
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        "C12H22O"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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    },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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      ],
      "attested_by": {
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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  "created_from": {
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    "seed_uuid": "2f59abc4-8a30-41d2-b952-c8ed50e4ced7",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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