Consensus flow list

3-(3-tert-butyl-4-hydroxyphenyl)propionic Acid

fo-4c456cbaf9017261

Identity

Type
Neutral molecule
CAS
107551-67-7
EC
403-920-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(3-tert-butyl-4-hydroxyphenyl)propionic Acid

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FZQRSWHPNZTNQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18O3/c1-13(2,3)10-8-9(4-6-11(10)14)5-7-12(15)16/h4,6,8,14H,5,7H2,1-3H3,(H,15,16)
IUPAC name chemrof:IUPAC_name 3-(3-tert-butyl-4-hydroxyphenyl)propionic Acid
Molecular formula chemrof:molecular_formula C13H18O3
Molecular mass chemrof:molecular_mass 222.284
Monoisotopic mass chemrof:monoisotopic_mass 222.125594
SMILES string chemrof:smiles_string CC(C)(C)c1cc(CCC(=O)O)ccc1O

Known URLs

7

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=107551-67-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.560 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20420180 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RX93F57D48 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.838.345B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5463779 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82231395 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4e403bf4-4e13-468b-8fe4-5fa916a8f76c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2c6eb468-53bb-4a9c-99f3-7f8f33e5a59c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4dbe87f8-3a6f-4fbd-a0f3-87e51956b820 Environmental → Air → Indoor EF 3.1 kg 2
8bb91e87-97b6-4534-8b5b-673536c8e786 Environmental → Air → Long-term EF 3.1 kg 0
c19044bd-c119-4ab5-96f1-31a60f3ed535 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
537a99ea-04cb-462f-9950-975d9089136c Environmental → Air → Unknown EF 3.1 kg 2
ebc19645-9a64-4ee2-8a46-a2eece98cfd0 Environmental → Ground → Agricultural EF 3.1 kg 2
19b58db7-5f28-4fe7-abf9-c45a17185270 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5eba6efb-8281-4915-a820-c7c1bf2f8536 Environmental → Ground → Unknown EF 3.1 kg 2
9a2b0d7f-688e-43bb-b990-312059de4c05 Environmental → Water → Long-term EF 3.1 kg 0
b9c16bd9-e81e-48df-a813-3a552b9a102f Environmental → Water → Ocean EF 3.1 kg 2
5f80a03a-728f-4c5d-b644-a83d80dd744d Environmental → Water → Surface water EF 3.1 kg 2
dda0f58b-cb84-4c22-97bc-a690b0d32508 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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}

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