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

1,3,5-trimethoxybenzene
phloroglucinol trimethyl ether

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Name:1,3,5-trimethoxybenzene
CAS Number: 621-23-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-673-4
FDA UNII: 00VJI3VG3D
Nikkaji Web:J6.831D
Beilstein Number:1307993
MDL:MFCD00008385
XlogP3:2.00 (est)
Molecular Weight:168.19224000
Formula:C9 H12 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic agents
 
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: 54.00 to 55.00 °C. @ 760.00 mm Hg
Boiling Point: 255.00 to 256.00 °C. @ 760.00 mm Hg
Boiling Point: 257.00 to 258.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.024000 mmHg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.60 °C. ) (est)
logP (o/w): 1.605 (est)
Soluble in:
 alcohol
 water, 772.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3,5-Trimethoxybenzene 95%
EMD Millipore
For experimental / research use only.
1,3,5-Trimethoxybenzene
Penta International
1,3,5-TRIMETHOXYBENZENE
Santa Cruz Biotechnology
For experimental / research use only.
1,3,5-Trimethoxybenzene
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,3,5-Trimethoxybenzene ReagentPlus®, ≥99%
TCI AMERICA
For experimental / research use only.
1,3,5-Trimethoxybenzene >98.0%(GC)
 
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-mouse LD50 1480 mg/kg
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

intraperitoneal-mouse LD50 580 mg/kg
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

Dermal Toxicity:
subcutaneous-mouse LD50 2800 mg/kg
Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
cosmetic agents
Recommendation for 1,3,5-trimethoxybenzene usage levels up to:
 not for fragrance use.
 
Recommendation for 1,3,5-trimethoxybenzene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):621-23-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69301
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3,5-trimethoxybenzene
Chemidplus:0000621238
RTECS:DC2810000 for cas# 621-23-8
 
References:
 1,3,5-trimethoxybenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:621-23-8
Pubchem (cid):69301
Pubchem (sid):135027234
Pherobase:View
 
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
KEGG (GenomeNet):D01792
HMDB (The Human Metabolome Database):HMDB59963
Export Tariff Code:2909.30.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 criuva parviflora
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 jasminum officinale
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 jasminum sambac
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 ligustrum ovalifolium
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 rosa chinensis
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Synonyms:
 benzene, 1,3,5-trimethoxy-
 phloroglucinol trimethyl ether
1,3,5-tri methoxy benzene
1,3,5-trimethoxy benzene
1,3,5-trimethoxybenzol
O,O,O-1,3,5-trimethyl resorcinol
O,O,O-1,3,5-trimethylresorcinol
 

Articles:

PubMed:Quantitative NMR: an applicable method for quantitative analysis of medicinal plant extracts and herbal products.
PubMed:Leaf essential oil composition of three species of Myrcianthes from Monteverde, Costa Rica.
PubMed:Two O-methyltransferases isolated from flower petals of Rosa chinensis var. spontanea involved in scent biosynthesis.
PubMed:Thermally assisted hydrolysis and methylation of purified tannins from plants.
PubMed:The key role of phloroglucinol O-methyltransferase in the biosynthesis of Rosa chinensis volatile 1,3,5-trimethoxybenzene.
PubMed:Three new ursane-type triterpenoids from the stems of Saprosma merrillii.
PubMed:Use and qualification of primary and secondary standards employed in quantitative (1)H NMR spectroscopy of pharmaceuticals.
PubMed:Clinical trials in irritable bowel syndrome: a review.
PubMed:Silver(I)-catalyzed deprotection of p-methoxybenzyl ethers: a mild and chemoselective method.
PubMed:Quantitative NMR: an applicable method for quantitative analysis of medicinal plant extracts and herbal products.
PubMed:Stereoselective assembly of complex oligosaccharides using anomeric sulfonium ions as glycosyl donors.
PubMed:Assessing the reactivity of free chlorine constituents Cl₂, Cl₂O, and HOCl toward aromatic ethers.
PubMed:Stereoselective glycosylations using oxathiane spiroketal glycosyl donors.
PubMed:Solvolyses of benzoyl chlorides in weakly nucleophilic media.
PubMed:Trimethoxybenzene complexes of pentafluorophenylchlorocarbene.
PubMed:Studies of microwave-enhanced Suzuki-Miyaura vinylation of electron-rich sterically hindered substrates utilizing potassium vinyltrifluoroborate.
PubMed:Synthesis and antitumor activity of diterpenylhydroquinone derivatives of natural ent-labdanes.
PubMed:A carbene-carbene complex equilibrium.
PubMed:Synthesis and biological evaluation of a novel series of 2,2-bisaminomethylated aurone analogues as anti-inflammatory and antimicrobial agents.
PubMed:Diffusion technique for the generation of gaseous halogen standards.
PubMed:Solvation of dichlorocarbene: complexation with aryl ethers.
PubMed:A metabolite profiling approach to identify biomarkers of flavonoid intake in humans.
PubMed:Ozonolysis of lignin models in aqueous solution: anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene.
PubMed:Development of a coupled diffusion denuder system combined with gas chromatography/mass spectrometry for the separation and quantification of molecular iodine and the activated iodine compounds iodine monochloride and hypoiodous acid in the marine atmosphere.
PubMed:Total synthesis of wasabidienones B1 and B0 via SIBX-mediated hydroxylative phenol dearomatization.
PubMed:A denuder-impinger system with in situ derivatization followed by gas chromatography-mass spectrometry for the determination of gaseous iodine-containing halogen species.
PubMed:C3 vanadium(V) amine triphenolate complexes: vanadium haloperoxidase structural and functional models.
PubMed:Leaf essential oil composition of three species of Myrcianthes from Monteverde, Costa Rica.
PubMed:Validation of a quantitative NMR method for suspected counterfeit products exemplified on determination of benzethonium chloride in grapefruit seed extracts.
PubMed:Bimolecular hole transfer from the trimethoxybenzene radical cation in the excited state.
PubMed:Acute exacerbation of pain in irritable bowel syndrome: efficacy of phloroglucinol/trimethylphloroglucinol. A randomized, double-blind, placebo-controlled study.
PubMed:One-electron oxidation of alcohols by the 1,3,5-trimethoxybenzene radical cation in the excited state during two-color two-laser flash photolysis.
PubMed:The behavior of exciplex decay processes and interplay of radiationless transition and preliminary reorganization mechanisms of electron transfer in loose and tight pairs of reactants.
PubMed:Facile synthesis of 1,3,7-trihydroxyxanthone and its regioselective coupling reactions with prenal: simple and efficient access to osajaxanthone and nigrolineaxanthone F.
PubMed:Thermally assisted hydrolysis and methylation of purified tannins from plants.
PubMed:Control of extremely fast competitive consecutive reactions using micromixing. Selective Friedel-Crafts aminoalkylation.
PubMed:Synthesis, characterization, and PGSE (1H and 19F) NMR diffusion studies on cationic (eta6- arene)Mn(CO)3+ complexes: boron counterion, ion pairing, and solvent dependences.
PubMed:The key role of phloroglucinol O-methyltransferase in the biosynthesis of Rosa chinensis volatile 1,3,5-trimethoxybenzene.
PubMed:The antimicrobial activity of Aspergillus fumigatus is enhanced by a pool of bacteria.
PubMed:Biosynthesis of the major scent components 3,5-dimethoxytoluene and 1,3,5-trimethoxybenzene by novel rose O-methyltransferases.
PubMed:Reactions of N-methyl-N-(4-biphenylyl)nitrenium ion with electron-rich arenes: laser flash photolysis and product studies.
PubMed:Metallocyclic receptors with Re(I)/Os(II)-based moieties: molecular photophysics and selective molecular sensing.
PubMed:[Fever and pregnancy].
PubMed:Eosinophils preferentially use bromide to generate halogenating agents.
PubMed:Practical preparation and deblocking conditions for N-alpha-(2-(p-biphenylyl)-2-propyloxycarbonyl)-amino acid (N-a-Bpoc-Xxx-OH) derivatives.
PubMed:[Spasfon].
PubMed:Aromatic and heterocyclic 1-C-substituted derivatives of 1,5-anhydro-D-glucitol.
PubMed:Assessment of chlorination by human neutrophils.
PubMed:[Spasfon].
PubMed:[Effects of liver disease and age on metabolism of trimethoxybenzene (author's transl)].
PubMed:High-performance liquid chromatographic analysis of penicillin V benzathine oral suspensions.
PubMed:Determination of buflomedil hydrochloride [2',4',6'-trimethoxy-4-(pyrrolidinyl)butyrophenone hydrochloride] by reversed-phase ion-pair high-performance liquid chromatography.
PubMed:Microdetermination of nitrates and nitrites in saliva, blood, water, and suspended particulates in air by gas chromatography.
 
Notes:
None found
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