Consensus flow list

2-phenylethyl Phenylacetate

fo-aec6955f9d255727

Identity

Type
Neutral molecule
CAS
102-20-5
EC
203-013-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-phenylethyl Phenylacetate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZOZIRNMDEZKZHM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
IUPAC name chemrof:IUPAC_name 2-phenylethyl Phenylacetate
Molecular formula chemrof:molecular_formula C16H16O2
Molecular mass chemrof:molecular_mass 240.302
Monoisotopic mass chemrof:monoisotopic_mass 240.11503
SMILES string chemrof:smiles_string O=C(Cc1ccccc1)OCCc1ccccc1

Known URLs

14

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=102-20-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173735 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.740 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7319.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044494 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6676 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183441 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/phenethyl-phenylacetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5J5OJ7GH15 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035009 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.787D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46801 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7601 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27262386 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
56f7ea0c-7dd2-4710-963f-75121577135f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bc5b46da-4cbd-4915-b2da-a2d1157bf996 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6646ae27-0c40-4c50-a2b5-de5e556e3cc6 Environmental → Air → Indoor EF 3.1 kg 2
df29f9b7-2e86-4be7-b3d2-ffce79946845 Environmental → Air → Long-term EF 3.1 kg 0
129c5361-f4e1-4a6a-946c-249d659fcd2d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe050ff6-1404-4b9d-817f-4d8094190bea Environmental → Air → Unknown EF 3.1 kg 2
db1f0fac-b583-4a57-a53b-8c098a551f1f Environmental → Ground → Agricultural EF 3.1 kg 2
313091ea-8f3b-4cf2-87cd-bbb1bcf84d1b Environmental → Ground → Non-agricultural EF 3.1 kg 2
637d9dc4-5efb-45d9-9ba0-18a021618145 Environmental → Ground → Unknown EF 3.1 kg 2
27890740-39f2-4882-a11a-dae09423b184 Environmental → Water → Long-term EF 3.1 kg 0
1acf31ef-9603-443c-9ccc-afbbbcfa7737 Environmental → Water → Ocean EF 3.1 kg 2
fc6b8961-b7d9-4378-af2e-9367b0b9a112 Environmental → Water → Surface water EF 3.1 kg 2
069e52c5-f4c8-4bc6-8882-8f0a1ae7671e 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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}

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