Consensus flow list

Identity

Type
Neutral molecule
CAS
78-69-3
EC
201-133-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,7-dimethyloctan-3-ol

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DLHQZZUEERVIGQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
IUPAC name chemrof:IUPAC_name 3,7-dimethyloctan-3-ol
Molecular formula chemrof:molecular_formula C10H22O
Molecular mass chemrof:molecular_mass 158.285
Monoisotopic mass chemrof:monoisotopic_mass 158.167065, 158.16707
SMILES string chemrof:smiles_string CCC(C)(O)CCCC(C)C

Known URLs

17

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=78-69-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84242 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.031 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.357 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7029110 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=128151 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183871 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/tetrahydrolinalool enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UM4XS5M134 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035246 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J354I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46892 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6548 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25518943 enrich_references.chebi_xrefs
reaxys reaxys:1719622 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2373947 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27157612 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
65ab1d42-8873-47c7-b576-70ea08f2d2ed Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ec426b08-fc69-48ab-83b8-1b4059723736 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e4e8bc2a-ccf3-4b89-80f4-a4eca70ba54d Environmental → Air → Indoor EF 3.1 kg 4
2fe21191-21ec-4d80-81c7-81aea93310a8 Environmental → Air → Long-term EF 3.1 kg 0
8b456130-6246-46b2-a3d3-bc9ccc524987 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
eacbcb56-f2b8-4bd6-a390-0d878840f29f Environmental → Air → Unknown EF 3.1 kg 4
e6f08df5-5ffb-40f2-80cd-346c5202b083 Environmental → Ground → Agricultural EF 3.1 kg 4
4a0e721a-ce79-4cb2-8125-1f610927b13b Environmental → Ground → Non-agricultural EF 3.1 kg 4
0f2d748b-d386-4940-8081-6a143da589a9 Environmental → Ground → Unknown EF 3.1 kg 4
ed382bee-008e-47af-9c56-28cb91a5a4db Environmental → Water → Long-term EF 3.1 kg 0
2b72a98c-932a-444a-a8ae-80fbbf0942e6 Environmental → Water → Ocean EF 3.1 kg 4
e24b65c8-f63b-49b7-b5c2-d2d661421979 Environmental → Water → Surface water EF 3.1 kg 4
635738e2-5bd7-462f-969e-78b4d4506831 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
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.",
      "@language": "en",
      "provenance": {
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    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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