1,2,6-Hexanetriol

(±)-1,2,6-Hexanetriol
1,2,6-Trihydroxyhexane
Hexane-1,2,6-triol

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	ZWVMLYRJXORSEP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
IUPAC name chemrof:IUPAC_name	1,2,6-Hexanetriol
Molecular formula chemrof:molecular_formula	C6H14O3
Molecular mass chemrof:molecular_mass	134.175
Monoisotopic mass chemrof:monoisotopic_mass	134.09429, 134.094294
SMILES string chemrof:smiles_string	OCCCCC(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
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=106-69-4	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179443	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.114	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.7535.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0041224	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404957	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184716	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W45XXM0XWE	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.168G	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C20334	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C20334	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75638	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7823	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1362577	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q18018076	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/1,2,6-Hexanetriol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
63f07da2-0114-4c1d-afc9-94598c689f51	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1ba1b66e-41bd-48ea-ae65-0dfc1b3c534b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
8a5d876c-b41f-46c8-b177-d6a3b2427fa5	Environmental → Air → Indoor	EF 3.1	kg	2
6d6f2d76-fb4d-4418-8d0d-79250a5d98b3	Environmental → Air → Long-term	EF 3.1	kg	0
70e6c31b-36c4-4774-882b-27ac9c0c1be5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6565fb0c-bab3-4de4-b2e2-9472303a60b1	Environmental → Air → Unknown	EF 3.1	kg	2
35ac087c-75a6-4b8a-946d-68cdaa5b605b	Environmental → Ground → Agricultural	EF 3.1	kg	2
c6acad23-2975-4e32-8d40-23054f2f6231	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ab47abeb-2b2f-4d27-8bea-63430255cf23	Environmental → Ground → Unknown	EF 3.1	kg	2
8c910351-722c-473d-885f-8acff8111b87	Environmental → Water → Long-term	EF 3.1	kg	0
b3ed1051-0b57-4443-9880-7c91947cafbb	Environmental → Water → Ocean	EF 3.1	kg	2
67f739db-6ffe-46be-9233-a4eda9c3ae3a	Environmental → Water → Surface water	EF 3.1	kg	2
b3bdfe8e-6f6c-4710-8233-16d1ef24d467	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (58 changes)

Open the changes page

Flow object JSON

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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=106-69-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-424-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-424-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

1,2,6-Hexanetriol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard