Consensus flow list

Identity

Type
Neutral molecule
CAS
10305-41-6
EC
805-622-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(cyclohexyloxy)propane-1,2-diol

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OWTXHZITCDRRTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-11H,1-7H2
IUPAC name chemrof:IUPAC_name 3-(cyclohexyloxy)propane-1,2-diol
Molecular formula chemrof:molecular_formula C9H18O3
Molecular mass chemrof:molecular_mass 174.24
Monoisotopic mass chemrof:monoisotopic_mass 174.125594
SMILES string chemrof:smiles_string OCC(O)COC1CCCCC1

Known URLs

8

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=10305-41-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.232.476 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70893623 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26621 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UL93J4379X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.790C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/231081 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27291127 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bd422155-5ade-45ea-b054-424908195b5b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
36ec36ce-f31b-4e01-96b6-0eb7b53217fe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
99363cba-aa5d-4b16-ba9d-0476aa6dacca Environmental → Air → Indoor EF 3.1 kg 2
277ffdfc-f788-4ade-b775-a4ad0b1fcbf0 Environmental → Air → Long-term EF 3.1 kg 0
f01f6570-c59a-458d-b07a-532e6eafea93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8a3d3822-8ce0-4b4c-a023-5b0e6e850773 Environmental → Air → Unknown EF 3.1 kg 2
86278a56-5a82-4c57-8da5-64484fc91339 Environmental → Ground → Agricultural EF 3.1 kg 2
143ec210-3e0f-4394-b3db-3266eeaf9f4a Environmental → Ground → Non-agricultural EF 3.1 kg 2
481c3282-4a85-43b1-9c71-368342b3693c Environmental → Ground → Unknown EF 3.1 kg 2
9948554e-ca44-4d96-a211-3dc23dcb9b9a Environmental → Water → Long-term EF 3.1 kg 0
bf8fe7c7-6c94-4be3-8b62-f2ba2548ce67 Environmental → Water → Ocean EF 3.1 kg 2
77f26dcd-036f-4735-86ad-16b18c66f73c Environmental → Water → Surface water EF 3.1 kg 2
dded1523-dbae-4fee-86d9-67845ca9debb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8652e90b002af3f5",
  "prefLabel": [
    {
      "@value": "3-(cyclohexyloxy)propane-1,2-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Propanediol, 3-(cyclohexyloxy)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10305-41-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10305-41-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Cyclohexyloxy)-1,2-propanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10305-41-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10305-41-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol α-monocyclohexyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10305-41-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10305-41-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H18O3"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    },
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        "OWTXHZITCDRRTI-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "OCC(O)COC1CCCCC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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        },
        {
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      "attested_by": {
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
        "174.24": [
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        }
      ],
      "attested_by": {
        "174.125594": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.790C",
      "provenance": {
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  ],
  "created_from": {
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    "seed_uuid": "143ec210-3e0f-4394-b3db-3266eeaf9f4a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  "parent_flow_object_id": null,
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  "@type": [
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}

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