3,4-xylenol

3,4-dimethylphenol

CAS: 95-65-8 C8 H10 O MW: 122.16690000 dry smoky

Identification

Name3,4-xylenol
IUPAC3,4-dimethylphenol
CAS Number95-65-8
EINECS202-439-5
FDA UNII4L479F5JU6
Molecular FormulaC8 H10 O
Molecular Weight122.16690000
MDL NumberMFCD00002304
Nikkaji NumberJ43.457D
Beilstein1099267
CoE Number11262
XlogP32.20 (est)

Regulatory

JECFA Food Flavoring708 3,4-xylenol
DG SANTE Food Flavourings04.048 3,4-dimethylphenol
FEMA Number3596
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)95-65-8 ; 3,4-XYLENOL

Physical Properties

Appearance dark orange crystals (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 64.00 to 68.00 °C. @ 760.00 mm Hg
Boiling Point 227.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.053000 mmHg @ 25.00 °C. (est)
Flash Point 230.00 °F. TCC ( 110.00 °C. )
logP (o/w) 2.230
Shelf Life 24.00 month(s) or longer if stored properly.
Storage store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description DIMETHYLPHENOL slightly smoky and earthy character provides nice roasted notes to seafood, mushroom and coffee flavors.
Taste Description
smoky, sweet and earthy notes
Nice smoky, sweet and earthy notes

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 727 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

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)5.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)1.00 (μg/capita/day)
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

None Found

Natural Occurrence

coffee PMC

Synonyms

3,4- dimethyl phenol 1,2- dimethyl-4-hydroxybenzene 3,4- dimethyl-phenol 3,4- dimethylbenzolol 3,4- dimethylphenol 3,4- DMP 4- hydroxy-1,2-dimethyl benzene 1- hydroxy-3,4-dimethyl benzene 1- hydroxy-3,4-dimethylbenzene 4- hydroxy-o-xylene phenol, 3,4-dimethyl- 1,3,4- xylenol US Patents: 3,946,080 - Flavouring and perfuming ingredients PubMed: Synthesis and characterization of phenolic Mannich bases and effects of these compounds on human carbonic anhydrase isozymes I and II. US Patents: 3,952,024 - Furfurylthioacetone PubMed: Design and synthesis of a vialinin A analog with a potent inhibitory activity of TNF-α production and its transformation into a couple of bioprobes. PubMed: Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation. PubMed: Isolation of a phenol-utilizing marine bacterium from Durban Harbour (South Africa) and its preliminary characterization as Marinobacter sp. KM2. PubMed: Synthesis and blocking activities of isoindolinone- and isobenzofuranone-containing phenoxylalkylamines as potent α(1)-adrenoceptor antagonists. PubMed: Biodegradation of phenolic mixtures in a sequencing batch reactor. A kinetic study. PubMed: Determination of phenolic compounds in wastewater by liquid-phase microextraction coupled with gas chromatography. PubMed: Analysis of bioavailable phenols from natural samples by recombinant luminescent bacterial sensors. PubMed: Development of a high analytical performance-tyrosinase biosensor based on a composite graphite-Teflon electrode modified with gold nanoparticles. PubMed: Regiospecificity of two multicomponent monooxygenases from Pseudomonas stutzeri OX1: molecular basis for catabolic adaptation of this microorganism to methylated aromatic compounds. PubMed: Influence of sodium benzoate on the metabolism of o-xylene in the rat. PubMed: Identification of a novel dioxygenase involved in metabolism of o-xylene, toluene, and ethylbenzene by Rhodococcus sp. strain DK17. PubMed: Simultaneous biodegradation of a phenol and 3,4-dimethylphenol mixture under denitrifying conditions. PubMed: Toxicity and kinetic parameters of the aerobic biodegradation of the phenol and alkylphenols by a mixed culture. PubMed: Biodegradation of dimethylphenols by bacteria with different ring-cleavage pathways of phenolic compounds. PubMed: Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica. PubMed: Derivative spectrophotometry in the analysis of mixtures of phenols and herbicides. PubMed: Determination of phenols in soil by supercritical fluid extraction-capillary electrochromatography. PubMed: Gas chromatographic-mass spectrometric identification and quantitation of benzyl alcohol in serum after derivatization with perfluorooctanoyl chloride: a new derivative. PubMed: Gas chromatographic-mass spectrometric identification and quantitation of benzyl alcohol from human serum and postmortem blood after derivatization with 4-carbethoxy hexafluorobutyryl chloride: a novel derivative. PubMed: A novel derivatization of phenol after extraction from human serum using perfluorooctanoyl chloride for gas chromatography-mass spectrometric confirmation and quantification. PubMed: Gas chromatographic-mass spectrometric identification and quantitation of urinary phenols after derivatization with 4-carbethoxyhexafluorobutyryl chloride, a novel derivative. PubMed: Cloning of the genes for and characterization of the early stages of toluene and o-xylene catabolism in Pseudomonas stutzeri OX1. PubMed: Gas chromatographic determination of urinary o-cresol for the monitoring of toluene exposure. PubMed: Initial steps in the degradation of 3,4-dimethylbenzoic acid by Pseudomonas putida strain DMB. PubMed: Metabolism of phenols by Ochromonas danica. PubMed: Formation of Dimethylmuconolactones from Dimethylphenols by Alcaligenes eutrophus JMP 134. PubMed: Aromatic effector activation of the NtrC-like transcriptional regulator PhhR limits the catabolic potential of the (methyl)phenol degradative pathway it controls. PubMed: An aromatic effector specificity mutant of the transcriptional regulator DmpR overcomes the growth constraints of Pseudomonas sp. strain CF600 on para-substituted methylphenols. PubMed: A novel toluene-3-monooxygenase pathway cloned from Pseudomonas pickettii PKO1. PubMed: Degradation of phenol and phenolic compounds by Pseudomonas putida EKII. PubMed: Nucleotide sequence and functional analysis of the complete phenol/3,4-dimethylphenol catabolic pathway of Pseudomonas sp. strain CF600. PubMed: Anaerobic degradation of cresols by denitrifying bacteria. PubMed: Location and organization of the dimethylphenol catabolic genes of Pseudomonas CF600. PubMed: Molecular analysis of a plasmid-encoded phenol hydroxylase from Pseudomonas CF600. PubMed: Isolation of a Pseudomonas stutzeri strain that degrades o-xylene. PubMed: Biotransformation of nitric oxide, nitrite and nitrate. PubMed: Solubility behavior of phenolic compounds in hexane-ethyl acetate, hexane-ethyl myristate, and hexane-ethyl pivalate cosolvent systems. PubMed: A modified spectrophotometric methods for nitrate in plants, soils and water by nitration of 3,4-dimethylphenol.