Consensus flow list

Identity

Type
Neutral molecule
CAS
25167-70-8
EC
246-690-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,4,4-trimethylpentene

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FXNDIJDIPNCZQJ-UHFFFAOYSA-N, ZZBYUJLKFQXHHJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
IUPAC name chemrof:IUPAC_name 2,4,4-trimethylpentene
Molecular formula chemrof:molecular_formula C16H32, C8H16
SMILES string chemrof:smiles_string C=C(C)CC(C)(C)C

Known URLs

15

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=25167-70-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.171 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.431 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0594 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026765 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73942 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8701 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186786 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N69L73ADVF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.098A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130663 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102601787 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7868 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2050 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3030100 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3715c1d8-b69b-475b-911a-54e670d912fa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89e4da5b-d6f6-4d8a-997f-8a36c7f41dbc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e6a05ac7-e8d8-4356-99b7-19273c4d2b90 Environmental → Air → Indoor EF 3.1 kg 4
a5a4a2d2-1826-4ca8-ba87-e78f8678dd12 Environmental → Air → Long-term EF 3.1 kg 0
9415eca5-158a-43e1-926d-1ca23fa41db3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
30a24265-ce01-4d8a-bd05-b35b231a1641 Environmental → Air → Unknown EF 3.1 kg 4
66511941-3de9-4600-bde0-e017884b4f64 Environmental → Ground → Agricultural EF 3.1 kg 4
d22a041e-324a-4285-ac75-dbc29e801686 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b601992e-a86d-4b81-abea-fa9dd5e2e18c Environmental → Ground → Unknown EF 3.1 kg 4
d18d98a6-1ca4-40bb-949b-fb5e96d54224 Environmental → Water → Long-term EF 3.1 kg 0
414c548f-f87d-44e7-84c1-6485d968088e Environmental → Water → Ocean EF 3.1 kg 4
8ad37369-d811-4648-be8e-aeed24d4e121 Environmental → Water → Surface water EF 3.1 kg 4
eb188eda-4efc-4661-afaf-4794915fd484 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-fce21215ed16da79",
  "prefLabel": [
    {
      "@value": "2,4,4-trimethylpentene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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