Octane-1,2-diol

(±)-Octane-1,2-diol
1,2-Dihydroxyoctane
1,2-Octandiol
1,2-Octanediol
1,2-octylene glycol
7,8-Dihydroxyoctane
A-Leen 8
Caprylyl glycol
Dermosoft Octiol
Effisin CG-AP
Green Octanediol
Hydrolite 8
Hydrolite CG
LexGard O
Microcare CLG
n-Octane-1,2-diol
Sodiol ON-D

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	AEIJTFQOBWATKX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
IUPAC name chemrof:IUPAC_name	Octane-1,2-diol
Molecular formula chemrof:molecular_formula	C8H18O2
Molecular mass chemrof:molecular_mass	146.23
Monoisotopic mass chemrof:monoisotopic_mass	146.13068
SMILES string chemrof:smiles_string	CCCCCCC(O)CO

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
beilstein	beilstein:1719619	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=1117-86-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34056	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.012.959	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9036646	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB14589	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=71546	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186864	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/00YIU5438U	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J103.154F	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14273	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14273	enrich_references.pubchem_identifier_url
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA05000089	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3180	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL3186864	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/14231	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017556	enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1363571	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27115777	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1,2-Octanediol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
832d3f42-bf2c-4e11-85ee-1b13900c1f55	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
c71df1b1-35cf-46ab-9011-6014219ea91c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
287ce2b3-2432-4a91-879c-c8b23cc604c3	Environmental → Air → Indoor	EF 3.1	kg	4
b50fe297-0238-4b02-9ed3-2dba5fefb191	Environmental → Air → Long-term	EF 3.1	kg	0
d419be40-b07d-4929-8c20-5c54e03d3849	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
024121d9-9905-4414-8c58-72e97aa8f053	Environmental → Air → Unknown	EF 3.1	kg	4
e84bf9df-71ce-4f08-a755-d1e48d74782b	Environmental → Ground → Agricultural	EF 3.1	kg	4
41bab280-5e38-440a-aa26-dc215869a74f	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
ad2b6c57-5247-4182-917a-9370cc3427b3	Environmental → Ground → Unknown	EF 3.1	kg	4
9c8bf710-2309-4806-8f26-b490f06d715c	Environmental → Water → Long-term	EF 3.1	kg	0
e34b397f-1992-4f41-9160-42a34026e1b9	Environmental → Water → Ocean	EF 3.1	kg	4
6a47236b-ebf9-4ca5-afe9-2f2ad1776d9a	Environmental → Water → Surface water	EF 3.1	kg	4
c79498c0-813e-48c0-b6f4-352b24b4812b	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-17bfe0ec7c615e49",
  "prefLabel": [
    {
      "@value": "Octane-1,2-diol",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(±)-Octane-1,2-diol",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
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    {
      "@value": "7,8-Dihydroxyoctane",
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Octane-1,2-diol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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