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

(5-ethyl-1,3-dioxan-5-yl)methanol
(5-Ethyl[1,3]dioxan-5-yl)methanol
1,3-Dioxane-5-methanol, 5-ethyl-
5-(Hydroxymethyl)-5-ethyl-1,3-dioxane
5-Ethyl-1,3-dioxan-5-methanol
5-Ethyl-5-(hydroxymethyl)-1,3-dioxane
5-Ethyl-m-dioxane-5-methanol
Formaldehyde mono(1,1,1-trimethylolpropane) acetal
m-Dioxane-5-methanol, 5-ethyl-

Property	Value
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

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	https://www.wikidata.org/wiki/Q27276348	enrich_references.pubchem_identifier_url

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

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": [
        "5187-23-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5187-23-5"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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