Consensus flow list

Identity

Type
Neutral molecule
CAS
13784-51-5
EC
237-438-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,5-dimethyl-1,2-dioxolane-3,5-diol

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ODQWDBNAMVRLSR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10O4/c1-4(6)3-5(2,7)9-8-4/h6-7H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name 3,5-dimethyl-1,2-dioxolane-3,5-diol
Molecular formula chemrof:molecular_formula C5H10O4
Molecular mass chemrof:molecular_mass 134.131
Monoisotopic mass chemrof:monoisotopic_mass 134.057909
SMILES string chemrof:smiles_string CC1(O)CC(C)(O)OO1

Known URLs

6

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=13784-51-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.021 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20275859 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J280.306B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89353 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82006081 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f965d482-a1c6-47ca-8f5d-d1a15211a105 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
76df1328-1530-4156-bb62-ed22316dafaa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c7d63a46-e070-49a1-8a26-8fac515493cc Environmental → Air → Indoor EF 3.1 kg 4
d47061ff-3f17-42c8-a683-a18f82b31a11 Environmental → Air → Long-term EF 3.1 kg 0
13ff337b-dcd8-43d7-8e6a-02db11712df5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b99ac2b7-9a1c-4f5f-a9cf-214765c7fc14 Environmental → Air → Unknown EF 3.1 kg 4
97fc1ce3-341f-457c-bae6-afe2ed6b4a30 Environmental → Ground → Agricultural EF 3.1 kg 4
3847472e-0777-4715-8409-065c336b5772 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b24fcd5a-8b1c-48b5-98c3-a4aab21ae16a Environmental → Ground → Unknown EF 3.1 kg 4
d2a0e305-3c58-4641-978c-a500c0d2cb86 Environmental → Water → Long-term EF 3.1 kg 0
eed980a4-32da-4ee1-9e62-bbcdde4bc7eb Environmental → Water → Ocean EF 3.1 kg 4
52fdf47b-7a5e-4374-8ce9-fab8c6ce076f Environmental → Water → Surface water EF 3.1 kg 4
df326c98-6798-4e00-b7ed-7d502125a965 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-591c392ab3b6e677",
  "prefLabel": [
    {
      "@value": "3,5-dimethyl-1,2-dioxolane-3,5-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-Dioxolane-3,5-diol, 3,5-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13784-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dihydroxy-3,5-dimethyl-1,2-oxacyclopentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13784-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dimethyl-3,5-dihydroxy-1,2-peroxycyclopentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=13784-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C5H10O4"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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        "ODQWDBNAMVRLSR-UHFFFAOYSA-N"
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      },
      "rdfs:label": "InChIKey",
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      ]
    },
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      "rdfs:label": "SMILES",
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      "attested_by": {
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    },
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      ],
      "provenance": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        },
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      ],
      "attested_by": {
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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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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "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=J280.306B",
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "13ff337b-dcd8-43d7-8e6a-02db11712df5",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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