Consensus flow list

Identity

Type
Neutral molecule
CAS
106-21-8
EC
203-374-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,7-dimethyloctan-1-ol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PRNCMAKCNVRZFX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name 3,7-dimethyloctan-1-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 CC(C)CCCC(C)CCO

Known URLs

18

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=106-21-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195928 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.068 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.177 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7504.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044360 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18917 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181881 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/37-dimethyl-1-octanol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DPY9K1927C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035411 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J37.634E enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA05000565 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA05000565 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46942 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7792 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1601994 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27276531 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
afb57938-832d-4f22-b6b9-252caf81773d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
22478ecf-a9fb-4eef-a6b8-6f39baaceb80 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0aa2ae8d-63c8-4cf2-942c-539083c48787 Environmental → Air → Indoor EF 3.1 kg 4
8e1e5a9d-b2de-45fa-826c-dad353ad9613 Environmental → Air → Long-term EF 3.1 kg 0
4ad79053-0de4-4564-835c-995d578981ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
24c24688-35ac-41a7-8dd7-b82af4d63f79 Environmental → Air → Unknown EF 3.1 kg 4
e7ea63a4-4674-4736-98ea-494ec0dfd6a1 Environmental → Ground → Agricultural EF 3.1 kg 4
7638f33a-6eaa-49a5-88a7-ed9d6f28d5f1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b646785b-be7d-45a0-9f38-cb926e01ab82 Environmental → Ground → Unknown EF 3.1 kg 4
98e260fd-d87e-4ec2-9a87-b8f55805d247 Environmental → Water → Long-term EF 3.1 kg 0
e88b40fc-0ce3-424a-8232-690b0f510a0d Environmental → Water → Ocean EF 3.1 kg 4
52eb3a61-0aaf-4e09-92a6-eb48cf7a7d1a Environmental → Water → Surface water EF 3.1 kg 4
5c0e2479-1bb3-4ba6-94cc-3411a319fc17 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-48dbd211f5081799",
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  ],
  "altLabel": [
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    },
    {
      "@value": "1-Octanol, 3,7-dimethyl-",
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    },
    {
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