Consensus flow list

Identity

Type
NeutralMolecule
CAS
6920-22-5
EC
230-029-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
103 across every transformer

Structure

Structure diagram for (rs)-1,2-dihydroxyhexane

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FHKSXSQHXQEMOK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name 1,2-hexanediol, (rs)-1,2-dihydroxyhexane
Molecular formula chemrof:molecular_formula C6H14O2
Molecular mass chemrof:molecular_mass 118.176
Monoisotopic mass chemrof:monoisotopic_mass 118.09938
SMILES string chemrof:smiles_string CCCCC(O)CO

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=6920-22-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.299 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40863959 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14108 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TR046Y3K1G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.042E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154806 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94335 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1362584 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27290177 enrich_references.pubchem_identifier_url

Elementary flows

25
Flow Context Source Unit CFs
51b4ef38-42a3-4e4f-876d-dac661d71971 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b314cbb5-21a8-4a88-9cdf-5adb2bffcfae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d297c21e-d2f9-48cd-a62b-8ca4ee1f21f2 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9158-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
178d432e-749e-49c2-a9a4-70b97912e6c6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
10dbd875-1046-49a1-919b-3e962a3208d0 Environmental → Air → Unknown EF 3.1 kg 2
8c99df4f-087c-40b0-9c9a-286f5ba3608e Environmental → Ground → Agricultural EF 3.1 kg 2
48f7709e-eb41-4de1-b05d-7108bfe93d2f Environmental → Ground → Non-agricultural EF 3.1 kg 2
bcda70d8-9a14-458b-92c0-7195e3f33d26 Environmental → Ground → Unknown EF 3.1 kg 2
1f31e7a0-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
1c02a006-947b-463a-8c86-1ff5c6c8ebed Environmental → Water → Ocean EF 3.1 kg 2
11e950d2-cbbe-4524-9d70-4a25e3f8df16 Environmental → Water → Surface water EF 3.1 kg 2
42c5248e-cf9c-4721-b62f-ce5da1ff84ed Environmental → Water → Unknown EF 3.1 kg 2
1f31c0b4-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-9159-0050c2490048 deprecated Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
c5063fc3-24fd-432d-aae8-6e9c6244f49b deprecated Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-915a-0050c2490048 deprecated Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9b5c-0050c2490048 deprecated Environmental → Air → Unknown EF 3.1 kg 0
1f31c0b2-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Ground → Agricultural EF 3.1 kg 0
1f31c0b5-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Ground → Non-agricultural EF 3.1 kg 0
1f31c0b7-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Ground → Unknown EF 3.1 kg 0
ee1cb8a8-d279-45af-9efc-8b003bcf2d91 deprecated Environmental → Water → Long-term EF 3.1 kg 0
1f31c0b6-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Ocean EF 3.1 kg 0
1f31c0b3-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Surface water EF 3.1 kg 0
1f31c0b8-6556-11dd-ad8b-0800200c9a66 deprecated Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (103 changes)

Open the changes page

Full record

Flow object JSON
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  "altLabel": [
    {
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      "@value": "Microcare Emollient HXD",
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=6920-22-5"
        }
      ],
      "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": [
        "230-029-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=230-029-6"
      ],
      "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"
  ]
}

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