2,4-xylenol

phenol, 2,4-dimethyl-

CAS: 105-67-9 C8 H10 O MW: 122.16690000 smoky burnt

Identification

Name2,4-xylenol
IUPAC2,4-dimethylphenol
CAS Number105-67-9
EINECS203-321-6
FDA UNII5OD803C081
Molecular FormulaC8 H10 O
Molecular Weight122.16690000
MDL NumberMFCD00002233
Nikkaji NumberJ3.606D
Beilstein0636244
CoE Number11259
XlogP32.30 (est)

Regulatory

DG SANTE Food Flavourings04.066 2,4-dimethylphenol

Physical Properties

Appearance yellow to brown liquid or solid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.01100 @ 25.00 °C.
Refractive Index 1.53800 @ 20.00 °C.
Melting Point 22.00 to 26.00 °C. @ 760.00 mm Hg
Boiling Point 210.00 to 212.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.129000 mmHg @ 25.00 °C. (est)
Flash Point 203.00 °F. TCC ( 95.00 °C. )
logP (o/w) 2.300
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength low
Odor Description at 100.00 %.
Taste Description burnt roasted

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 3200 mg/kg
Dermal Toxicityskin-rat LD50 1040 mg/kg
Inhalation Toxicityinhalation-rat LC > 30 mg/m3

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)420 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)0.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.20000
Edible ices, including sherbet and sorbet (03.0)0.50000
Processed fruit (04.1)0.40000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.20000
Bakery wares (07.0)2.00000
Meat and meat products, including poultry and game (08.0)0.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.20000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.30000
Foodstuffs intended for particular nutritional uses (13.0)0.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.20000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)1.00000
Ready-to-eat savouries (15.0)2.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.40000

M&U International LLC

Steady supply & demand

Meeting customers increasing demands at home as well as abroad.

View All Website 908-359-9000 sales@mu-intel.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Vigon International

Passion for Simplicity

Manufacturer and supplier of high quality flavor and fragrance ingredients.

View All Website 570-476-6300 sales@vigon.com

Potential Uses

None Found

Natural Occurrence

coffee - 2 mg/kg PMC

Synonyms

asym.-m-Xylenol bacticin 2,4- dimethyl phenol 2,4- dimethyl-phenol 2,4- dimethylphenol gallex 4- hydroxy-1,3-dimethylbenzene 1- hydroxy-2,4-dimethylbenzene 4- hydroxy-m-xylene lysol o- methyl-p-cresol phenol, 2,4-dimethyl- m- xylenol meta- xylenol xylenol-2 4 US Patents: 3,946,080 - Flavouring and perfuming ingredients PubMed: Possible intermediates of Cu(phen)-catalyzed C-O cross-coupling of phenol with an aryl bromide by in situ ESI-MS and EPR studies. US Patents: 3,952,024 - Furfurylthioacetone PubMed: Capabilities and limitations of dispersive liquid-liquid microextraction with solidification of floating organic drop for the extraction of organic pollutants from water samples. PubMed: Identification of crude-oil components and microorganisms that cause souring under anaerobic conditions. PubMed: The catabolism of 2,4-xylenol and p-cresol share the enzymes for the oxidation of para-methyl group in Pseudomonas putida NCIMB 9866. PubMed: Amino modified multi-walled carbon nanotubes/polydimethylsiloxane coated stir bar sorptive extraction coupled to high performance liquid chromatography-ultraviolet detection for the determination of phenols in environmental samples. PubMed: [Phenols pollutants in soil and shallow groundwater of a retired refinery site]. PubMed: An effective strategy for a whole-cell biosensor based on putative effector interaction site of the regulatory DmpR protein. PubMed: Assessment of priority phenolic compounds in sediments from an extremely polluted coastal wetland (Lake Maryut, Egypt). PubMed: Determination of phenols with ion chromatography-online electrochemical derivatization based on porous electrode-fluorescence detection. PubMed: Installation of amine moieties into a polycyclic anodic product derived from 2,4-dimethylphenol. PubMed: [Determination of 4 phenols in water by three phase hollow fiber microextraction coupled with high performance liquid chromatography]. PubMed: Treatment of substituted phenol mixtures in single phase and two-phase solid-liquid partitioning bioreactors. PubMed: Dearomatisation of o-xylene by P450BM3 (CYP102A1). PubMed: Diversity-oriented synthesis of polycyclic scaffolds by modification of an anodic product derived from 2,4-dimethylphenol. PubMed: In vitro metabolism of oxymetazoline: evidence for bioactivation to a reactive metabolite. PubMed: Selective determination of 2,4-xylenol by gas chromatography/supersonic jet/resonance-enhanced multiphoton ionization/time-of-flight mass spectrometry. PubMed: 2,4-Dimethylphenol imprinted polymers as a solid-phase extraction sorbent for class-selective extraction of phenolic compounds from environmental water. PubMed: Benzylic and aryl hydroxylations of m-xylene by o-xylene dioxygenase from Rhodococcus sp. strain DK17. PubMed: Treatment of municipal solid waste leachate using a submerged anaerobic membrane bioreactor at mesophilic and psychrophilic temperatures: analysis of recalcitrants in the permeate using GC-MS. PubMed: Filter-based treatment of leachate from an industrial landfill containing shredder residues of end-of-life vehicles and white goods. PubMed: Selective ionization of 2,4-xylenol in mass spectrometry using a tunable laser and supersonic jet technique. PubMed: Detection of phenolic compounds in flow systems based on tyrosinase-modified reticulated vitreous carbon electrodes. PubMed: Simple and sensitive determination of 2,4-xylenol in surface water samples from river and sea by gas chromatography-mass spectrometry. PubMed: An amperometric biosensor based on multiwalled carbon nanotube-poly(pyrrole)-horseradish peroxidase nanobiocomposite film for determination of phenol derivatives. PubMed: Effect of humic substances on the Fenton treatment of wastewater at acidic and neutral pH. PubMed: Mice recognize recent urine scent marks by the molecular composition. PubMed: Chemical oxidation of 2,4-dimethylphenol in soil by heterogeneous Fenton process. PubMed: [New efficient producers of fungal laccases]. PubMed: Laccase-catalyzed removal of 2,4-dimethylphenol from synthetic wastewater: effect of polyethylene glycol and dissolved oxygen. PubMed: Multiple-ligand binding in CYP2A6: probing mechanisms of cytochrome P450 cooperativity by assessing substrate dynamics. PubMed: Comparison of the effect of phenol and its derivatives on protein and free radical formation in human erythrocytes (in vitro). PubMed: Development, validation and application of a method to analyze phenols in water samples by solid phase micro extraction-gas chromatography-flame ionization detector. PubMed: A 4-alkyl-substituted analogue of guaiacol shows greater repellency to savannah tsetse (Glossina spp.). PubMed: Determination of phenolic compounds in wastewater by liquid-phase microextraction coupled with gas chromatography. PubMed: Methylphenols removal from water by low-cost adsorbents. PubMed: [New ways to increasing the yield of laccase from Panus tigrinus fungi]. PubMed: Carbon isotope fractionation of organic contaminants due to retardation on humic substances: implications for natural attenuation studies in aquifers. PubMed: The Missoula Valley semivolatile and volatile organic compound study: seasonal average concentrations. PubMed: Membrane-assisted solvent extraction of seven phenols combined with large volume injection-gas chromatography-mass spectrometric detection. PubMed: Solid-phase microextraction of phenol compounds using a fused-silica fiber coated with beta-cyclodextrin-bonded silica particles. PubMed: Ruthenium(II)-tris-bipyridine/titanium dioxide codoped zeolite Y photocatalysts: II. Photocatalyzed degradation of the model pollutant 2,4-xylidine, evidence for percolation behavior. PubMed: Degradation of water-insoluble dyes by microperoxidase-11, an effective and stable peroxidative catalyst in hydrophilic organic media. PubMed: Molybdenum complexes with linked cycloheptatrienyl-phenolate ligands. PubMed: An N,N'-dialkyl-4,4'-bipyridinium-modified titanium-dioxide photocatalyst for water remediation--observation and application of supramolecular effects in photocatalytic degradation of pi-donor organic compounds. PubMed: Trace level determination of phenols as pentafluorobenzyl derivatives by gas chromatography-negative-ion chemical ionization mass spectrometry. PubMed: Organization and regulation of meta cleavage pathway genes for toluene and o-xylene derivative degradation in Pseudomonas stutzeri OX1. PubMed: Determination of Henry's law constants of phenols by pervaporation-flow injection analysis. PubMed: Removal of phenols from aqueous solution by XAD-4 resin. PubMed: Catalase activity in human erythrocytes: effect of phenoxyherbicides and their metabolites. PubMed: Generation of novel bacterial regulatory proteins that detect priority pollutant phenols. PubMed: Synthesis and analytical properties of a novel columnar metallomesogenic polymer. PubMed: Ligand- and subtype-selective coupling of human alpha-2 adrenoceptors to Ca++ elevation in Chinese hamster ovary cells. PubMed: Influence of phenoxyherbicides and their metabolites on the form of oxy- and deoxyhemoglobin of vertebrates. PubMed: Effects of creosote compounds on the aerobic bio-degradation of benzene. PubMed: The influence of creosote compounds on the aerobic degradation of toluene. PubMed: Human cytochrome P450 isoform specificity in the regioselective metabolism of toluene and o-, m- and p-xylene. PubMed: A microassay for urinary phenol using capillary gas chromatography and optimised enzymic hydrolysis. PubMed: A novel toluene-3-monooxygenase pathway cloned from Pseudomonas pickettii PKO1. PubMed: Development of an amperometric biosensor for the determination of phenolic compounds in reversed micelles. PubMed: Biodegradation of ortho-cresol by a mixed culture of nitrate-reducing bacteria growing on toluene. PubMed: Ten and ninety-day toxicity studies of 2,4-dimethylphenol in Sprague-Dawley rats. PubMed: Metabolic interaction and disposition of methyl ethyl ketone and m-xylene in rats at single and repeated inhalation exposures. PubMed: Anaerobic degradation of cresols by denitrifying bacteria. PubMed: Use of polymeric sorbents for the off-line preconcentration of priority pollutant phenols from water for high-performance liquid chromatographic analysis. PubMed: In vitro cytotoxicity of organic pollutants to bluegill sunfish (BF-2) cells. PubMed: Rat lung and liver cytochrome P-450 isozymes involved in the hydroxylation of m-xylene. PubMed: Pharmacologic and genetic studies on the modulatory effects of butylated hydroxytoluene on mouse lung adenoma formation. PubMed: Urinalysis of minor metabolites of ethylbenzene and m-xylene. PubMed: Urinary disposition of ethylbenzene and m-xylene in man following separate and combined exposure. PubMed: Cellular toxicity in Chinese hamster ovary cell cultures. II. A statistical appraisal of sensitivity with the rabbit alveolar macrophage, Syrian hamster embryo, BALB 3T3 mouse, and human neonatal fibroblast cell systems. PubMed: Mutagenicity testing in the Salmonella typhimurium assay of phenolic compounds and phenolic fractions obtained from smokehouse smoke condensates. PubMed: Metabolic interaction between m-xylene and ethanol. PubMed: Metabolism and distribution of 2,4-dimethylphenol in rat. PubMed: Effects of phenol, 2,4-dimethylphenol, 2,4-dichlorophenol, and pentachlorophenol on embryo, larval, and early-juvenile fathead minnows (Pimephales promelas). PubMed: Antimycoplasmal activity of dimethylphenols in a tracheal explant culture system. PubMed: Kinetics of m-xylene in man: Influence of intermittent physical exercise and changing environmental concentrations on kinetics. PubMed: Kinetics of m-xylene in man: General features of absorption, distribution, biotransformation and excretion in repetitive inhalation exposure. PubMed: Semimicro spectrophotometric determination of nitroglycerine in propellants by use of 2,4-xylenol. PubMed: Gas-liquid chromatographic determination of nitrate and nitrite in cheese, ham, fish sausage, cod roes, and salmon roes. PubMed: Cross-linking of amino acids by formaldehyde. Preparation and 13C NMR spectra of model compounds. PubMed: Bacterial metabolism of para- and meta-xylene: oxidation of the aromatic ring. PubMed: A novel mechanism for the NIH-shift. PubMed: Arene oxides as intermediates in the metabolism of aromatic substrates: alkyl and oxygen migrations during isomerization of alkylated arene oxides. PubMed: Tentative method of analysis for nitrate in atmospheric particulate matter (2,4-xylenol method (1)). PubMed: The bacterial metabolism of 2,4-xylenol.