Consensus flow list

Identity

Type
Neutral molecule
CAS
122-79-2
EC
204-575-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenyl Acetate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IPBVNPXQWQGGJP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
IUPAC name chemrof:IUPAC_name Phenyl Acetate
Molecular formula chemrof:molecular_formula C8H8O2
Molecular mass chemrof:molecular_mass 136.15
Monoisotopic mass chemrof:monoisotopic_mass 136.052429, 136.05243
SMILES string chemrof:smiles_string CC(=O)Oc1ccccc1

Known URLs

23

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=122-79-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8082 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.160 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0539 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3051626 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27795 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL289559 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/phenyl-acetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/355G9R500Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040733 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.787E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00548 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C15583 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00548 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C15583 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49149 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1501 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31229 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11121229 enrich_references.chebi_xrefs
reaxys reaxys:636458 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q419645 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenyl_acetate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a90124b3-6084-428e-b9e5-e7f73b80f2a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ece2981a-3ee7-41ac-b3f0-80f1977e4c83 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1e9e25e8-896d-4f35-9bbb-6059490d82e9 Environmental → Air → Indoor EF 3.1 kg 2
e8e86340-1304-42ff-b563-bb404b0b510c Environmental → Air → Long-term EF 3.1 kg 0
734a72d9-2a81-433e-b53d-4fcc99410623 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4bccdb84-2c9e-4ffd-aec9-fa4cb690502b Environmental → Air → Unknown EF 3.1 kg 2
b3ebf399-1fa7-4fca-9bec-7a7aad386b7a Environmental → Ground → Agricultural EF 3.1 kg 2
dad25677-b6aa-4886-a6f3-74958757433e Environmental → Ground → Non-agricultural EF 3.1 kg 2
977a1495-bc69-408d-bf31-5d2237c9a8a4 Environmental → Ground → Unknown EF 3.1 kg 2
2495a9c0-e8fe-4cd9-a31d-527ef42da4ac Environmental → Water → Long-term EF 3.1 kg 0
47709186-926d-49d8-8a0c-4a5997868d9f Environmental → Water → Ocean EF 3.1 kg 2
7c748888-8227-4200-b536-45cfcd37bc92 Environmental → Water → Surface water EF 3.1 kg 2
0fc6a377-e0ac-4a85-b431-687bd1a03dde Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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