Hex-1-en-3-ol

(±)-1-Hexen-3-ol
1-Hexen-3-ol
1-Propylallyl alcohol
1-Vinylbutanol
3-Hydroxy-1-hexene
Propylvinylcarbinol

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	BVOSSZSHBZQJOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
IUPAC name chemrof:IUPAC_name	Hex-1-en-3-ol
Molecular formula chemrof:molecular_formula	C6H12O
Molecular mass chemrof:molecular_mass	100.161
Monoisotopic mass chemrof:monoisotopic_mass	100.088815, 100.08882
SMILES string chemrof:smiles_string	C=CC(O)CCC

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=4798-44-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173346	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.050	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.19689.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1022219	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=89701	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270634	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/1-hexen-3-ol	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q5O8U05965	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0031503	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.831G	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44912	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/20928	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27287030	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
720eba0f-8f6c-4eaf-8914-4a97cb9d3a30	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f5cc2347-dc03-46e1-b4bb-0275db0276a5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
aa9c28cf-66f6-4ab1-8270-82fe03358c9f	Environmental → Air → Indoor	EF 3.1	kg	2
28c3e22a-de2c-4411-b670-3f95ffc18d07	Environmental → Air → Long-term	EF 3.1	kg	0
1b4daa08-2894-4a81-a134-881498db684c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
126aea65-f4cf-48ff-97a5-a706d206d7fb	Environmental → Air → Unknown	EF 3.1	kg	2
64b32444-4983-4f34-9097-83eac99fde8d	Environmental → Ground → Agricultural	EF 3.1	kg	2
6926cc1f-ed91-4817-843e-6f8eead7ea86	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e9aad40a-42d7-4f04-b8b6-d22273dfb69b	Environmental → Ground → Unknown	EF 3.1	kg	2
323cff21-3e3d-4805-9f68-8b94baf32507	Environmental → Water → Long-term	EF 3.1	kg	0
87040749-a156-48a8-b0b7-d4aaa08337b8	Environmental → Water → Ocean	EF 3.1	kg	2
9631681b-ff94-4601-9d1d-a062c94753a8	Environmental → Water → Surface water	EF 3.1	kg	2
1e26037b-ffcd-4648-9bd2-9734c95e0797	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "4798-44-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=4798-44-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4798-44-1"
        }
      ],
      "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": [
        "225-355-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=225-355-0"
      ],
      "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"
  ]
}

Hex-1-en-3-ol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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