Consensus flow list

Identity

Type
Neutral molecule
CAS
513-81-5
EC
208-172-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,3-dimethylbuta-1,3-diene

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SDJHPPZKZZWAKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
IUPAC name chemrof:IUPAC_name 2,3-dimethylbuta-1,3-diene
Molecular formula chemrof:molecular_formula C6H10
Molecular mass chemrof:molecular_mass 82.146
Monoisotopic mass chemrof:monoisotopic_mass 82.07825
SMILES string chemrof:smiles_string C=C(C)C(=C)C

Known URLs

9

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=25034-65-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=513-81-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.430 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2022046 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8656 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/61TUU25HCO enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.282K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10566 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3597985 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7bd3a5fc-14c2-46e0-a337-4bc4e0927b15 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d67a5ba-dcf0-4517-911a-a4ca2c8144da Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0e5bedf6-c290-48c1-a5ac-9599d3196daa Environmental → Air → Indoor EF 3.1 kg 2
bc88e495-6def-41a6-972b-e748de6fee5e Environmental → Air → Long-term EF 3.1 kg 0
05c0ca25-9369-40d4-9eb2-a9049689464e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c8beb3ac-1721-4694-9d3f-81d1dab7743e Environmental → Air → Unknown EF 3.1 kg 2
5a34f622-ce36-43dd-a7b7-2d8dba1fe0b9 Environmental → Ground → Agricultural EF 3.1 kg 2
8db670a1-2c66-41fa-b31f-271f441834dd Environmental → Ground → Non-agricultural EF 3.1 kg 2
6f8ff6fb-acb9-4961-b37c-a583c0ddf210 Environmental → Ground → Unknown EF 3.1 kg 2
071b623f-c687-48c1-957d-990c806f8677 Environmental → Water → Long-term EF 3.1 kg 0
233aced0-33cd-4e48-8dd8-97dabdcfbfb0 Environmental → Water → Ocean EF 3.1 kg 2
e0fb464c-a517-4c42-a15d-3a595a6849a8 Environmental → Water → Surface water EF 3.1 kg 2
b06930ee-9dc4-4b00-b4ac-30e597d8c677 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5dbb7262dd7a1c21",
  "prefLabel": [
    {
      "@value": "2,3-dimethylbuta-1,3-diene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Butadiene, 2,3-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=513-81-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dimethyl-1,3-butadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dimethyl-1,3-butdiene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dimethylbuta-1,2-diene",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "2,3-Dimethylenebutane",
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    },
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      "@value": "Biisopropenyl",
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    },
    {
      "@value": "Diisopropenyl",
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