2,3,4-trichloroanisole
benzene, 1,2,3-trichloro-4-methoxy-
 
Notes:
None found
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CAS Number: 54135-80-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-990-7
Nikkaji Web: J209.016C
Beilstein Number: 2364316
MDL: MFCD00000541
XlogP3: 4.00 (est)
Molecular Weight: 211.47205000
Formula: C7 H5 Cl3 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 69.00 °C. @ 760.00 mm Hg
Boiling Point: 261.60 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.023000 mmHg @ 25.00 °C.
Flash Point: 220.00 °F. TCC ( 104.70 °C. ) (est)
logP (o/w): 3.740
Soluble in:
 water, 10.8 mg/L @ 25 °C (exp)
 water, 24.42 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
2,3,4-Trichloroanisole
Sigma-Aldrich
For experimental / research use only.
2,3,4-Trichloroanisole PESTANAL®, analytical standard
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2,3,4-trichloroanisole usage levels up to:
 not for fragrance use.
 
Recommendation for 2,3,4-trichloroanisole flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 41017
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1,2,3-trichloro-4-methoxybenzene
Chemidplus: 0054135807
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References:
 1,2,3-trichloro-4-methoxybenzene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 41017
Pubchem (sid): 135004572
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2909.30.4000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 anisole, 2,3,4-trichloro-
 benzene, 1,2,3-trichloro-4-methoxy-
 methyl 2,3,4-trichlorophenyl ether
1,2,3-trichloro-4-methoxybenzene
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Articles:
PubMed: Different headspace solid phase microextraction--gas chromatography/mass spectrometry approaches to haloanisoles analysis in wine.
PubMed: Accurate analysis of trace earthy-musty odorants in water by headspace solid phase microextraction gas chromatography-mass spectrometry.
PubMed: In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests.
PubMed: Comparison of two SPME fibers for the extraction of some off-flavor cork-taint compounds in bottled wines investigated by GC-HRMS.
PubMed: Migration of organic compounds from a multilayer plastic-paper material intended for food packaging.
PubMed: Routine analysis of off-flavor compounds in water at sub-part-per-trillion level by large-volume injection GC/MS with programmable temperature vaporizing inlet.
PubMed: Simultaneous picogram determination of "earthy-musty" odorous compounds in water using solid-phase microextraction and gas chromatography-mass spectrometry coupled with initial cool programmable temperature vaporizer inlet.
PubMed: Optimization of stir bar sorptive extraction applied to the determination of odorous compounds in drinking water.
PubMed: Analysis of off-flavors in the aquatic environment by stir bar sorptive extraction-thermal desorption-capillary GC/MS/olfactometry.
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