Consensus flow list

Identity

Type
Neutral molecule
CAS
80-04-6
EC
201-244-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol/n

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CDBAMNGURPMUTG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,1′-Isopropylidenebis[4-cyclohexanol]
Molecular formula chemrof:molecular_formula C15H28O2
Molecular mass chemrof:molecular_mass 240.387
Monoisotopic mass chemrof:monoisotopic_mass 240.20893
SMILES string chemrof:smiles_string CC(C)(C1CCC(O)CC1)C1CCC(O)CC1

Known URLs

15

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=80-04-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.132 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001365786 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044993 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID101365789 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401365788 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8990 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8991 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8992 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185065 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NXZ4H12R1Z enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2906.19.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J192.573C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94932 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27285099 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2bfe6b88-71b7-4fe2-b4c5-fd8124a2428a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
87d9d708-9a1f-463e-a6a7-a637faceaf36 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e69f8dd8-3f64-4924-8055-8b47dcd9b453 Environmental → Air → Indoor EF 3.1 kg 2
4c2a2d21-a816-4d1b-8a37-4f4b7d08e0a3 Environmental → Air → Long-term EF 3.1 kg 0
1d888c4f-3a59-4fe0-a2dc-ac17fab82867 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ccaee340-8043-4910-b5a3-7d862f608a9e Environmental → Air → Unknown EF 3.1 kg 2
494955b4-b9a6-4658-9c3c-b248af1aacbf Environmental → Ground → Agricultural EF 3.1 kg 2
362dd3e4-a7b8-4635-9380-6ab3d0f85214 Environmental → Ground → Non-agricultural EF 3.1 kg 2
732a5461-cdf2-4228-a5e6-d0fb3c458867 Environmental → Ground → Unknown EF 3.1 kg 2
4ffc584c-3408-43b3-ac91-f020666b99d1 Environmental → Water → Long-term EF 3.1 kg 0
dbfe5f04-47df-4c4f-9920-0eda035ed528 Environmental → Water → Ocean EF 3.1 kg 2
6e4c1501-edd1-4086-84eb-17b32937a987 Environmental → Water → Surface water EF 3.1 kg 2
b9f8e056-5cc5-473f-a6ac-629e5ef8fa37 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-eb4a31e506006835",
  "prefLabel": [
    {
      "@value": "4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol/n",
      "@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": "1,1′-Isopropylidenebis[4-cyclohexanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis(4-hydroxycyclohexyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-(1-Methylethylidene)bis[cyclohexanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-(Propane-2,2-diyl)dicyclohexanol",
      "@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": "4,4′-Isopropylidenedicyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 4,4′-(1-methylethylidene)bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 4,4′-isopropylidenedi-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecahydrobisphenol A",
      "@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=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HBPA",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HBPA (diol)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrobisphenol A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrogenated bisphenol A",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perhydrobisphenol A",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=80-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rikabinol HB",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "ST 4100DX60",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C15H28O2"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CDBAMNGURPMUTG-UHFFFAOYSA-N"
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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            "1,1′-Isopropylidenebis[4-cyclohexanol]"
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        },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3"
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    },
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      "rdfs:label": "Molecular mass",
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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": {
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  },
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