Consensus flow list

5-Ethyl-1,3-dioxane-5-methanol

fo-8ff5587aca1658da

Identity

Type
Neutral molecule
CAS
5187-23-5
EC
225-967-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 5-Ethyl-1,3-dioxane-5-methanol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BGFBWRWYROQISE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3
IUPAC name chemrof:IUPAC_name 5-Ethyl-1,3-dioxane-5-methanol
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.09429, 146.094294
SMILES string chemrof:smiles_string CCC1(CO)COCOC1

Known URLs

10

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=5187-23-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:191039 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.607 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.71195.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044949 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188470 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DED4973C69 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.351K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78860 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276348 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f83fefbb-49ad-46b8-bcc4-42edb2c5c53a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e7aa52ce-5ef9-49e9-a6ec-6c9ad2cc3b77 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e292ad7a-fe6c-4aa0-91b4-888231b1d689 Environmental → Air → Indoor EF 3.1 kg 2
bc9f3ff5-6d28-471e-98e2-800c16cc995c Environmental → Air → Long-term EF 3.1 kg 0
5eaf1d95-32a2-4ba8-af49-eb0fe1114cb8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c003be1f-beaa-48d5-9523-47ea7137ff67 Environmental → Air → Unknown EF 3.1 kg 2
0d3f3962-1f3a-4fb8-8f82-48d191cbb3de Environmental → Ground → Agricultural EF 3.1 kg 2
029e5d13-16a8-4608-9568-6cdf7d69a37c Environmental → Ground → Non-agricultural EF 3.1 kg 2
6c5998fd-e49f-4a90-b7b1-d32b605a60dd Environmental → Ground → Unknown EF 3.1 kg 2
547a9feb-1ae2-4842-ac1d-4f3731bb4bb6 Environmental → Water → Long-term EF 3.1 kg 0
02d847c5-598e-44b1-ba62-c59467aeb779 Environmental → Water → Ocean EF 3.1 kg 2
d2c90d4d-2295-4ddb-b15d-5da08b9a98a7 Environmental → Water → Surface water EF 3.1 kg 2
d012d451-c64c-4a1c-9eef-9c7631d188a2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5187-23-5"
        }
      ],
      "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": [
        "225-967-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=225-967-8"
      ],
      "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"
  ]
}

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