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1-[4-(2-hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one

fo-5b828782cc269e7d

Identity

Type
Neutral molecule
CAS
106797-53-9
EC
402-670-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-[4-(2-hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GJKGAPPUXSSCFI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
Molecular formula chemrof:molecular_formula C12H16O4
Molecular mass chemrof:molecular_mass 224.256
Monoisotopic mass chemrof:monoisotopic_mass 224.104859, 224.10486
SMILES string chemrof:smiles_string CC(C)(O)C(=O)c1ccc(OCCO)cc1

Known URLs

9

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=106797-53-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:170047 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.569 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.77809.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6044777 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188617 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J640.171F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86266 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72484385 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3c6c968b-fef0-4bbb-968d-403e91c18a27 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cfb88453-2aac-49fd-b68a-5941049fc542 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f6f5b4dd-d621-4247-b01a-1d6e68fb16d3 Environmental → Air → Indoor EF 3.1 kg 2
d9df6796-b1b6-4daa-8ae6-e2403060e3e5 Environmental → Air → Long-term EF 3.1 kg 0
4f40e4d7-f273-4e49-b490-9d12c2cbb350 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
26e107b2-416b-4178-aed3-cc4e7d137504 Environmental → Air → Unknown EF 3.1 kg 2
f9085ac0-cf55-4884-bc01-f19f6d08be79 Environmental → Ground → Agricultural EF 3.1 kg 2
66fb83af-f9b3-4f6f-b29d-e99304238844 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7337f5ee-f386-4f10-bad7-5f48fe187347 Environmental → Ground → Unknown EF 3.1 kg 2
830fa7f1-461c-41da-92e3-29989cfd1021 Environmental → Water → Long-term EF 3.1 kg 0
05ba5723-dfff-4e76-b0d9-e10667b649cc Environmental → Water → Ocean EF 3.1 kg 2
096c94cc-de96-4918-9e89-0ae1ae2b47e8 Environmental → Water → Surface water EF 3.1 kg 2
aa6067bc-62de-4149-88dc-1a69e603815b 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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