Consensus flow list

Identity

Type
Neutral molecule
CAS
98-52-2
EC
202-676-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-tert-butylcyclohexanol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CCOQPGVQAWPUPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylcyclohexanol
Molecular formula chemrof:molecular_formula C10H20O
Molecular mass chemrof:molecular_mass 156.269
Monoisotopic mass chemrof:monoisotopic_mass 156.151415
SMILES string chemrof:smiles_string CC(C)(C)C1CCC(O)CC1

Known URLs

16

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=98-52-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.434 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.110 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40883571 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026623 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50885182 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404197 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1886723 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F5FZ4Y0UMG enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L5067JRJ73 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.003G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.004E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.542C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7391 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1373206 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q67195227 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7e24a49a-062c-4aa1-9bc3-2bfba6c4a4b2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a39b47bd-43f6-44b1-98a4-97b1f5dcf4e8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
506dab04-e0be-4981-8554-87e41c97cb50 Environmental → Air → Indoor EF 3.1 kg 4
1cc3731e-58eb-4da8-a040-643f9beb720f Environmental → Air → Long-term EF 3.1 kg 0
07eb7956-c7fd-4cc5-8646-1c64b680ec70 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dd868e53-8aed-4250-8e68-15bb974533c1 Environmental → Air → Unknown EF 3.1 kg 4
c9cd1ce1-4eed-48c7-a967-f018f2731420 Environmental → Ground → Agricultural EF 3.1 kg 4
e3736ae4-b3ee-4b5b-bdd2-cfda37e5b744 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d891e511-22a7-4f22-892a-86ee1183aca3 Environmental → Ground → Unknown EF 3.1 kg 4
121b155c-28b3-46eb-ad8e-9cbd0edff6ae Environmental → Water → Long-term EF 3.1 kg 0
7b563c9a-2c21-4b78-a235-76e846e4446d Environmental → Water → Ocean EF 3.1 kg 4
3a9e46bc-2a0d-4608-bfce-942a3579a889 Environmental → Water → Surface water EF 3.1 kg 4
4bb2bbfe-1982-445e-a483-8e51a4c77389 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-b5f3e480f69fb33f",
  "prefLabel": [
    {
      "@value": "4-tert-butylcyclohexanol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(1,1-Dimethylethyl)cyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butyl-1-cyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 4-(1,1-dimethylethyl)-",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 4-tert-butyl-",
      "@language": "en",
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      "attested_by": {
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