Brightway Flows 1.0
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2,4-dimethylheptane

fo-049d8d9aa8e17c65

Identity

Type
Neutral molecule
CAS
2213-23-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
50 across every transformer

Structure

Structure diagram for 2,4-dimethylheptane

Alternative labels

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AUKVIBNBLXQNIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
IUPAC name chemrof:IUPAC_name 2,4-dimethylheptane
Molecular formula chemrof:molecular_formula C9H20
Molecular mass chemrof:molecular_mass 128.259
Monoisotopic mass chemrof:monoisotopic_mass 128.1565, 128.156501
SMILES string chemrof:smiles_string CCCC(C)CC(C)C

Known URLs

13

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=2213-23-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141558 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.152.309 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10862873 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.500F enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000612 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16656 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19025629 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19743389 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21386193 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27392938 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28507202 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2813779 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
1f312464-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a713-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a712-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a714-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d78-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
1f312462-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
1f312465-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
1f312467-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
1f312469-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
1f312466-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
1f312463-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
1f312468-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (50 changes)

Open the changes page

Full record

Flow object JSON 
{
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    }
  ],
  "altLabel": [
    {
      "@value": "(±)-2,4-Dimethylheptane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Heptane, 2,4-dimethyl-",
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}

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