EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-methoxyphenyl acetic acid
acetic acid, 4-methoxyphenyl-

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Name:2-(4-methoxyphenyl)acetic acid
CAS Number: 104-01-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-166-4
Nikkaji Web:J10.116H
Beilstein Number:1101737
MDL:MFCD00004345
XlogP3:1.40 (est)
Molecular Weight:166.17630000
Formula:C9 H10 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:herbicides / pesticides
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 87.00 °C. @ 760.00 mm Hg
Boiling Point: 138.00 to 140.00 °C. @ 3.00 mm Hg
Boiling Point: 306.00 to 307.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000345 mmHg @ 25.00 °C. (est)
Flash Point: 256.00 °F. TCC ( 124.30 °C. ) (est)
logP (o/w): 1.420
Soluble in:
 alcohol
 water, 9753 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Methoxyphenylacetic acid 99%
EMD Millipore
For experimental / research use only.
4-Methoxyphenylacetic Acid
Penta International
4-METHOXYPHENYLACETIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
4-Methoxyphenylacetic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-ethoxyphenylacetic aAcid ReagentPlus®, 99%
TCI AMERICA
For experimental / research use only.
4-Methoxyphenylacetic Acid >98.0%(GC)(T)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 1550 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 685, 1976.

intraperitoneal-mouse LD50 504 mg/kg
Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
herbicides / pesticides
Recommendation for 4-methoxyphenyl acetic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 4-methoxyphenyl acetic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):104-01-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7690
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-(4-methoxyphenyl)acetic acid
Chemidplus:0000104018
EPA/NOAA CAMEO:hazardous materials
RTECS:AI8960000 for cas# 104-01-8
 
References:
 2-(4-methoxyphenyl)acetic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:104-01-8
Pubchem (cid):7690
Pubchem (sid):134972571
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB02072
FooDB:FDB022832
Export Tariff Code:2918.29.7500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 hedysarum coronarium
Search Trop Picture
 ketaki flower oil india @ 0.50%
Data GC Search Trop Picture
 plumeria rubra
Search Trop Picture
 
Synonyms:
 acetic acid, (p-methoxyphenyl)-
 acetic acid, 4-methoxyphenyl-
 acetic acid, p-methoxyphenyl-
homoanisic acid
homo-p-anisic acid
2-(p-anisyl)acetic acid
2-(para-anisyl)acetic acid
 benzeneacetic acid, 4-methoxy-
4-methoxy phenylacetic acid
p-methoxy-a-toluic acid
4-methoxy-benzeneacetic acid
(4-methoxy-phenyl)-acetic acid
4-methoxybenzeneacetic acid
p-methoxyphenyl-acetic acid
(4-methoxyphenyl)acetic acid
(p-methoxyphenyl)acetic acid
2-(4-methoxyphenyl)acetic acid
4-methoxyphenylacetic acid
p-methoxyphenylacetic acid
4-methoxyphenylaceticacid
 

Articles:

PubMed:Synthesis and evaluation of the cytotoxicity of a series of 1,3,4-thiadiazole based compounds as anticancer agents.
PubMed:Anticancer activity of dinuclear gallium(III) carboxylate complexes.
PubMed:Characterization of pu-erh tea using chemical and metabolic profiling approaches.
PubMed:Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them.
PubMed:Determination of selected neurotransmitter metabolites using monolithic column chromatography coupled with chemiluminescence detection.
PubMed:Coenzyme Q0 induces apoptosis and modulates the cell cycle in estrogen receptor negative breast cancer cells.
PubMed:Study of the cytotoxic activity of di and triphenyltin(IV) carboxylate complexes.
PubMed:15N CIDNP investigations of the peroxynitric acid nitration of L-tyrosine and of related compounds.
PubMed:Bromophenol derivatives from the red alga Rhodomela confervoides.
PubMed:Development and substantiation of a liquid chromatographic method for monitoring organic reactions involved in synthesis of 4-methoxyphenylacetic acid.
PubMed:Syntheses and in vitro evaluation of 4-(2-aminoethyl)-2(3H)-indolones and related compounds as peripheral prejunctional dopamine receptor agonists.
PubMed:[Microbial degradation of papaverine (author's transl)].
PubMed:Metabolism of 3, 4-dihydroxyphenylalanine, its metabolites and analogues in vivo in the rat: urinary excretion pattern.
PubMed:The estimation of 3,4-dihydroxyphenylacetic acid, homovanillic acid and homo-isovanillic acid in nervous tissue by gas-liquid chromatography and electron capture detection.
PubMed:[4-O-Methylated catecholamines: 3-hydroxy, 4-methoxyphenylacetic acid (homo-isovanillic acid, iso-HVA) in biological media: urine, cerebrospinal fluid, and brain tissue].
PubMed:The 4-0-methyl metabolites of catecholamines in man: chromatographic identification of 3-hydroxy,4-methoxyphenylacetic acid (homo-iso-vanillic acid) in cerebrospinal fluid.
PubMed:[Attempted cyclization of 5-substituted-2-(5-carboxymethyl-2-methoxyphenoxy)-4-methoxyphenylacetic acid with polyphosphoris acid (studies on the synthesis of heterocyclic compounds. CCXLII].
 
Notes:
4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. (PMIDs 6511847, 4645252, 12416886) [HMDB]
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