Consensus flow list

Ethyl 3-methyl-3-phenyloxirane-2-carboxylate

fo-eda3b0099983ca9b

Identity

Type
Neutral molecule
CAS
77-83-8
EC
201-061-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl 3-methyl-3-phenyloxirane-2-carboxylate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LQKRYVGRPXFFAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Molecular formula chemrof:molecular_formula C12H14O3
Molecular mass chemrof:molecular_mass 206.241
Monoisotopic mass chemrof:monoisotopic_mass 206.09429, 206.094294
SMILES string chemrof:smiles_string CCOC(=O)C1OC1(C)c1ccccc1

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=77-83-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173581 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.966 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6255.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020591 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=251076 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27905 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1890407 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-methylphenylglycidate enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031729 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.727I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45063 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6501 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q411450 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_methylphenylglycidate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6c804746-8817-43f0-be93-83060c5a62ed Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a53c253b-abec-4163-8373-c0dc4808e8a6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c06a616f-def8-4ec1-a54c-2bd1bf380062 Environmental → Air → Indoor EF 3.1 kg 2
f3996caf-c26b-4395-a739-d6500d146514 Environmental → Air → Long-term EF 3.1 kg 0
16920857-3dea-4327-b3a3-00ca76329245 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9ce4c9fc-45ec-4d3a-818f-e08a7c9c2c10 Environmental → Air → Unknown EF 3.1 kg 2
4e46f2a8-e550-4d3d-a919-9812eedbb6d6 Environmental → Ground → Agricultural EF 3.1 kg 2
de69fbd3-2601-41d4-8246-75ed52c0e32e Environmental → Ground → Non-agricultural EF 3.1 kg 2
333bade8-1529-490e-afa3-79cececeb9a6 Environmental → Ground → Unknown EF 3.1 kg 2
8b5cc078-3ee6-4aa1-ba62-65fb40778020 Environmental → Water → Long-term EF 3.1 kg 0
3ea1da5b-51ac-454b-b5e1-be52096df942 Environmental → Water → Ocean EF 3.1 kg 2
ec94ddc7-f37e-4912-bd11-b810d4ed6ff5 Environmental → Water → Surface water EF 3.1 kg 2
04e9ccc6-366e-49f0-8b35-b65142788597 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 
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