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Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol

fo-82463fdcdade6272

Identity

Type
Neutral molecule
CAS
26896-48-0
EC
248-096-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FGUUNXDRMVKHCF-UHFFFAOYSA-N, OTLDLKLSNZMTTA-UHFFFAOYSA-N, YGOKKVJEXURPMZ-UHFFFAOYSA-N, ZFZDWMXUMXACHS-IACGZSPGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20O2/c13-7-9-6-12-2-1-11(9,3-4-12)5-10(12)8-14/h9-10,13-14H,1-8H2
IUPAC name chemrof:IUPAC_name Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol
Molecular formula chemrof:molecular_formula C12H20O2
SMILES string chemrof:smiles_string OCC1CC23CCC1(CC2)CC3CO

Known URLs

13

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=26160-83-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26896-48-0 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68398-16-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.156 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.709 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.063.589 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184469 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WQS3ZG4ZGF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.659.028I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10921470 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160138 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22347887 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27292780 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d348edd3-aa92-4678-ad9e-1b4278e0ce05 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0f760b9b-317c-42d2-86f2-4fecaaed9f85 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
08492014-23a0-4fcd-9848-30e2de3bef22 Environmental → Air → Indoor EF 3.1 kg 4
d45740cb-daa2-407b-864e-2a9cae7e2e99 Environmental → Air → Long-term EF 3.1 kg 0
d20284fd-88b1-4208-97d0-46e8511a8183 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
09486857-b7b8-4264-8251-4b1feab7b45d Environmental → Air → Unknown EF 3.1 kg 4
640f39c1-a952-4367-b6d2-6145e1626798 Environmental → Ground → Agricultural EF 3.1 kg 4
973149c2-004c-437b-9083-2d68c8ff04b3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4c605aa5-90c8-4ef1-b91b-e0df103b3f2e Environmental → Ground → Unknown EF 3.1 kg 4
95e80aae-b534-4f35-bee0-3583c754d889 Environmental → Water → Long-term EF 3.1 kg 0
75d41ffd-bcaf-431e-8263-18ab8e20e483 Environmental → Water → Ocean EF 3.1 kg 4
6f686f05-15ad-4147-91c9-6453e8077937 Environmental → Water → Surface water EF 3.1 kg 4
3f8923d8-41f6-4d22-b2f2-46131ff92b56 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-82463fdcdade6272",
  "prefLabel": [
    {
      "@value": "Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol",
      "@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": "Tricyclodecanedimethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C12H20O2"
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      "attested_by": {
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      }
    }
  },
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  "created_from": {
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    "semantic_typing": {
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  "@type": [
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}

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