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

3-(1,1-Dimethylethyl)-4-hydroxybenzenepropanoic acid
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-

Property	Value
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

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	https://www.wikidata.org/wiki/Q82231395	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

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Flow object JSON

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}

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

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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