Consensus flow list

Ethyl (2r)-2-(4-hydroxyphenoxy)propanoate

fo-b85d57835787de23

Identity

Type
Neutral molecule
CAS
71301-98-9
EC
615-275-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl (2r)-2-(4-hydroxyphenoxy)propanoate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ILYSHPJWNMPBPE-MRVPVSSYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)[C@@H](C)Oc1ccc(O)cc1
IUPAC name chemrof:IUPAC_name Ethyl (2r)-2-(4-hydroxyphenoxy)propanoate
Molecular formula chemrof:molecular_formula C11H14O4
Molecular mass chemrof:molecular_mass 210.229
Monoisotopic mass chemrof:monoisotopic_mass 210.089209
SMILES string chemrof:smiles_string CCOC(=O)C(C)Oc1ccc(O)cc1

Known URLs

5

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=71301-98-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00509381 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.222.130K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12768094 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72475308 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
11d8134b-5fb1-402d-887a-190ea650b5e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
959d89e7-d6b2-4fc9-a85f-c82d2226bc66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c8da4236-df04-4ab7-8d9c-95d487c3ec4d Environmental → Air → Indoor EF 3.1 kg 2
b661bfe2-6274-4c55-a8af-43b6942a99c4 Environmental → Air → Long-term EF 3.1 kg 0
ffb7297a-4852-44e0-a73c-428aa996a4a6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
db8f3d37-de02-4b52-9faa-4dbc1944e35e Environmental → Air → Unknown EF 3.1 kg 2
f9b2edcb-f9b1-4c44-a3d2-08591ea7d0ec Environmental → Ground → Agricultural EF 3.1 kg 2
2df66671-e195-4f61-b15a-8014dfdf648d Environmental → Ground → Non-agricultural EF 3.1 kg 2
f0e33e93-0788-410c-baac-4826fabd852f Environmental → Ground → Unknown EF 3.1 kg 2
7551c614-4355-40fe-a1ad-0cf01a7dcb66 Environmental → Water → Long-term EF 3.1 kg 0
1048fdd6-761f-4ba1-9b0a-f86cfe761791 Environmental → Water → Ocean EF 3.1 kg 2
263e1782-2b1f-4bc1-9c66-abbfced6ac5b Environmental → Water → Surface water EF 3.1 kg 2
d4e2f7a5-a76d-4f25-ad04-a03e7c0c32f6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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  "altLabel": [
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      "@value": "(R)-2-(4-Hydroxyphenoxy)propionic acid ethyl ester",
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}

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