Consensus flow list

Identity

Type
NeutralMolecule
CAS
558-30-5
EC
209-193-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2-dimethyloxirane

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GELKGHVAFRCJNA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,2-dimethyloxirane
Molecular formula chemrof:molecular_formula C4H8O
Molecular mass chemrof:molecular_mass 72.107
Monoisotopic mass chemrof:monoisotopic_mass 72.05751, 72.057515
SMILES string chemrof:smiles_string CC1(C)CO1

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=25068-10-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=558-30-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193943 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.359 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10735.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7060330 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24249 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UJ14MJ1WG0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034431 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.669G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46538 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11208 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q71024787 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
13286f8c-e4bb-4bf4-a078-3ca0aea903db Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7200aca2-1886-4d8f-ab5f-7e9c04efcf09 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
77f68b77-9916-4fb7-8028-6fc0d2081c3d Environmental → Air → Indoor EF 3.1 kg 2
8739b25d-f47f-4aa8-82c8-f25aeb07b1a4 Environmental → Air → Long-term EF 3.1 kg 0
8f837385-1f12-4311-bf84-25a7b8bed64e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
785eb74c-3393-4428-a750-50d66848ad6a Environmental → Air → Unknown EF 3.1 kg 2
731ca79d-d1ba-46a8-82bd-6fbc4d7e4669 Environmental → Ground → Agricultural EF 3.1 kg 2
407b8237-fa5e-4dc1-89fc-25340a066af9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
32518067-337c-4ab3-b712-220da606e09d Environmental → Ground → Unknown EF 3.1 kg 2
23d25b9c-b454-4021-9885-93bc23e21100 Environmental → Water → Long-term EF 3.1 kg 0
06f50a39-4e95-4170-a78a-6400d0a80dd5 Environmental → Water → Ocean EF 3.1 kg 2
7d7f9ef1-fcde-4ebc-ad89-e73128173045 Environmental → Water → Surface water EF 3.1 kg 2
85909ca6-98c3-4282-a5ab-6dd09b1db3f5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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