Consensus flow list

Identity

Type
Neutral molecule
CAS
79-29-8
EC
201-193-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 2,3-dimethylbutane

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
IUPAC name chemrof:IUPAC_name 2,3-dimethylbutane
Molecular formula chemrof:molecular_formula C6H14
Molecular mass chemrof:molecular_mass 86.178
Monoisotopic mass chemrof:monoisotopic_mass 86.10955
SMILES string chemrof:smiles_string CC(C)C(C)C

Known URLs

19

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=79-29-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141560 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.085 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6340.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025112 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24837 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1344453 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/68ISQ7A432 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245401 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.230G enrich_references.pubchem_identifier_url
patent patent:CA2654918 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6589 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2457 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10537377 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28189307 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29587216 enrich_references.chebi_xrefs
reaxys reaxys:1730737 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209178 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,3-Dimethylbutane enrich_references.chebi_xrefs

Elementary flows

12
Flow Context Source Unit CFs
e2fb04d9-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 1
4d9a8790-3ddd-11dd-9353-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-9352-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-9354-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 1
4d9a8790-3ddd-11dd-94cb-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 1
e2fb04d7-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
e2fb04da-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e2fb04dc-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
e2fb04de-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fb04db-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
e2fb04d8-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
e2fb04dd-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    "resolver": "hybrid_name_cas_v1",
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    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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        "79-29-8"
      ],
      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
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      }
    },
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        "201-193-6"
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        "https://echa.europa.eu/search-for-chemicals?query=201-193-6"
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An alkane that is butane substituted by a methyl group at positions 2 and 3.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_141560"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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