Consensus flow list

Identity

Type
Neutral molecule
CAS
75-28-5
EC
200-857-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isobutane

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NNPPMTNAJDCUHE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
IUPAC name chemrof:IUPAC_name Isobutane
Molecular formula chemrof:molecular_formula C4H10
Molecular mass chemrof:molecular_mass 58.124
Monoisotopic mass chemrof:monoisotopic_mass 58.07825
SMILES string chemrof:smiles_string CC(C)C

Known URLs

24

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=40921-86-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=75-28-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TZ419CE0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30363 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.780 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0901 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026401 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106398 enrich_references.pubchem_identifier_url
gmelin gmelin:1301 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BXR49TP611 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253605 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.159I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D04623 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D04623 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65972 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6360 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1075 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1969 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24179026 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24464945 enrich_references.chebi_xrefs
reaxys reaxys:1730720 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363040 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q407225 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isobutane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fa6893-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 5
4d9a8790-3ddd-11dd-9357-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 5
374aeac7-f0ff-451a-82ac-26ccd02e3b0f Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9356-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-9358-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 5
4d9a8790-3ddd-11dd-9355-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 5
e2fa6891-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
e2fa6894-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e2fa6896-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
e2fa6898-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fa6895-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
e2fa6892-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
e2fa6897-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-797397b5a86bc9b5",
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      "@value": "Isobutane",
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  ],
  "altLabel": [
    {
      "@value": "(CH3)2CH-CH3",
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    },
    {
      "@value": "iso-Butane",
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