|
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white to tan crystals (est) |
| Assay: | 99.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97100 @ 25.00 °C.
|
| Melting Point: | 75.00 to 77.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 211.00 to 212.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.128000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. )
|
| logP (o/w): | 2.330 |
| Soluble in: |
| | alcohol | | | water, 3835 mg/L @ 25 °C (est) | | | water, 3540 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: phenolic |
| sweet naphthyl phenolic smoky bacon |
| Odor Description:at 0.10 % in propylene glycol. sweet naphthyl phenolic smoke bacon |
| sweet naphthyl phenolic smoky bacon |
Odor Description:Sweet, naphthyl, phenolic, smoke, bacon and Iysol-like
Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
| Flavor Type: musty |
| musty chemical stringent phenolic |
Taste Description: at 10.00 ppm. Musty, chemical, stringent and phenolic
Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
| Beijing Lys Chemicals |
| 2,5-Dimethyl phenol
|
| EMD Millipore |
| For experimental / research use only. |
| 2,5-Dimethylphenol
|
| M&U International |
| 2,5-XYLENOL, Kosher
|
| Parchem |
| 2,5-xylenol
|
| Penta International |
| 2,5-XYLENOL (2,5-DIMETHYL PHENOL)
|
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,5-Dimethylphenol
|
| Sigma-Aldrich |
| 2,5-Xylenol, ≥99%, FG
Odor: medicinal; sweet |
| Certified Food Grade Products |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,5-Dimethylphenol 99%
|
| Synerzine |
| 2,5-Xylenol
|
| TCI AMERICA |
| For experimental / research use only. |
| 2,5-Dimethylphenol >98.0%(GC)
|
| WholeChem |
| 2,5-Dimethyl phenol
|
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | T N - Toxic, Dangerous for the environment. |
R 24/25 - Toxic in contact with skin and if swallowed.
R 34 - Causes burns.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
|
| |
| 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 444 mg/kg
(Maazik, 1968)
oral-rabbit LD50 938 mg/kg
(Maazik, 1968)
oral-mouse LD50 383 mg/kg
(Maazik, 1968)
gavage-rat LD50 < 5000 mg/kg
(De Cresente, 1982)
oral-mouse LD50 383 mg/kg
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BEHAVIORAL: ATAXIA
Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
oral-rabbit LD50 938 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
BEHAVIORAL: ATAXIA
Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
oral-rat LD50 444 mg/kg
Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972.
unreported-rat LD50 730 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 227, 1935.
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.03 (μg/capita/day) |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 11 |
| Click here to view publication 11 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 4.00000 |
| 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: | - | 2.00000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | 2.00000 |
| jams / jellies: | - | - |
| meat products: | - | 2.00000 |
| milk products: | - | - |
| nut products: | - | 2.00000 |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | 2.00000 |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | 2.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
References:
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB30540 |
| FooDB: | FDB002413 |
| Export Tariff Code: | 2907.19.6100 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Formulations/Preparations:
•xylenol 100; a high purity fraction of 2,4- and 2,5- xylenol (ortho xylenols); typical composition: 2,4- and 2,5-xylenol 93%; meta para cresol 2%; other xylenols 5%. from table
•pitt-consol xylenol 410 is a synthetic xylenol blend homolog distribution, wt %: 2,6-xylenol, 1; 2,4-xylenol, 42; 2,5-xylenol, 43; 2,3-xylenol group, 14. xylenol 410
|
Potential Blenders and core components note
| For Odor |
| alcoholic |
3- hexanol
FL/FR |
| anisic |
ortho- acetanisole
FL/FR |
| balsamic |
sumatra benzoin absolute
FL/FR |
| camphoreous |
dextro- camphor
FL/FR |
| chocolate |
vanillyl ethyl ether
FL/FR |
| coumarinic |
phthalide
FL/FR |
| creamy |
para- vanillyl alcohol
FL/FR |
| floral |
benzyl alcohol
FL/FR |
para- cresyl acetate
FL/FR |
dimethyl anthranilate
FL/FR |
| fruity |
meta- tolualdehyde
FL/FR |
para- tolualdehyde
FL/FR |
| green |
diphenyl oxide
FL/FR |
seaweed absolute (fucus vesiculosus et serratus)
FL/FR |
| herbal |
cardamom oleoresin
FL/FR |
sage oleoresin
FL/FR |
yerba mate absolute
FL/FR |
| honey |
phenyl pyruvic acid
FL/FR |
| medicinal |
ortho- cresyl acetate
FL/FR |
summer savory oil
FL/FR |
2,6- xylenol
FL/FR |
| minty |
piperitenone
FL/FR |
| mossy |
oakmoss concrete
FR |
sea resorcylate
FR |
veramoss (IFF)
FR |
| nutty |
nutty cyclohexenone
FL/FR |
| phenolic |
anisole
FL/FR |
ortho- cresol
FR |
para- cresol
FL/FR |
meta- cresol
FR |
ortho- cresyl isobutyrate
FL/FR |
2,3- dimethyl benzofuran
FL/FR |
para-alpha- dimethyl styrene
FL/FR |
ortho- guaiacol
FL/FR |
2'- hydroxyacetophenone
FL/FR |
methyl benzoate
FL/FR |
4- methyl-2,6-dimethoxyphenol
FL/FR |
piper betle leaf oil
FR |
2-iso propyl phenol
FL/FR |
2- propyl phenol
FL/FR |
4- propyl phenol
FL/FR |
4- vinyl phenol
FL/FR |
2,3- xylenol
FL/FR |
| smoky |
2,6- dimethoxyphenol
FL/FR |
4- ethyl phenol
FL/FR |
pyroligneous acids
FL/FR |
| spicy |
4- ethyl guaiacol
FL/FR |
4- methyl guaiacol
FL/FR |
ocimum gratissimum herb oil india
FR |
origanum majorana oleoresin
FL/FR |
zingerone
FL/FR |
| terpenic |
(R)-(-)-alpha- phellandrene
FL/FR |
| vanilla |
ortho- dimethyl hydroquinone
FL/FR |
ethyl vanillin hexylene glycol acetal
FR |
| woody |
guaiacyl acetate
FL/FR |
beta- thujaplicin
FR |
| For Flavor |
| No flavor group found for these |
chavicol
FL |
ortho- cresyl acetate
FL/FR |
ortho- cresyl isobutyrate
FL/FR |
2,4- dihydroxybenzoic acid
FL |
2,6- dimethoxy-4-vinyl phenol
FL |
ortho- dimethyl hydroquinone
FL/FR |
3- methyl crotonic acid
FL |
3- methyl cyclohexanone
FL |
4- methyl salicylaldehyde
FL |
methyl thiophene thiol
FL |
(R)-(-)-alpha- phellandrene
FL/FR |
piperitenone
FL/FR |
4- propyl phenol
FL/FR |
2- propyl phenol
FL/FR |
para- salicylic acid
FL |
seaweed absolute (fucus vesiculosus et serratus)
FL/FR |
|
3,5- diisopropyl-1,2,4-trithiolane
FL |
| alcoholic |
| alcoholic |
3- hexanol
FL/FR |
| aromatic |
anisole
FL/FR |
para- cresyl acetate
FL/FR |
| burnt |
bacon dithiazine
FL |
2,6- xylenol
FL/FR |
| chemical |
2,3- dimethyl benzofuran
FL/FR |
| coumarinic |
phthalide
FL/FR |
| creamy |
para- vanillyl alcohol
FL/FR |
| fishy |
3- penten-2-one
FL |
| fruity |
benzyl alcohol
FL/FR |
dimethyl anthranilate
FL/FR |
meta- tolualdehyde
FL/FR |
| green |
diphenyl oxide
FL/FR |
| herbal |
cardamom oleoresin
FL/FR |
sage oleoresin
FL/FR |
yerba mate absolute
FL/FR |
| meaty |
2,6- dimethyl thiophenol
FL |
ortho- thioguaiacol
FL |
| medicinal |
dextro- camphor
FL/FR |
2,6- dimethoxyphenol
FL/FR |
summer savory oil
FL/FR |
| musty |
2- ethoxythiazole
FL |
| naphthyl |
2'- hydroxyacetophenone
FL/FR |
| nutty |
nutty cyclohexenone
FL/FR |
| phenolic |
para- cresol
FL/FR |
methyl benzoate
FL/FR |
4- methyl-2,6-dimethoxyphenol
FL/FR |
phenyl pyruvic acid
FL/FR |
4- vinyl phenol
FL/FR |
2,3- xylenol
FL/FR |
| powdery |
ortho- acetanisole
FL/FR |
| rummy |
vanillyl ethyl ether
FL/FR |
| smoky |
4- ethyl phenol
FL/FR |
pyroligneous acids
FL/FR |
| solvent |
2-iso propyl phenol
FL/FR |
| spicy |
sumatra benzoin absolute
FL/FR |
para-alpha- dimethyl styrene
FL/FR |
4- methyl guaiacol
FL/FR |
origanum majorana oleoresin
FL/FR |
winter savory oil
FL |
para- tolualdehyde
FL/FR |
zingerone
FL/FR |
| vegetable |
tyramine
FL |
| woody |
4- ethyl guaiacol
FL/FR |
ortho- guaiacol
FL/FR |
guaiacyl acetate
FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2,5- | dimethyl phenol | | 3,6- | dimethyl phenol | | 1,4- | dimethyl-2-hydroxybenzene | | 2,5- | dimethyl-phenol | | 2,5- | dimethylbenzolol | | 2,5- | dimethylphenol | | 1- | hydroxy-2,5-dimethyl benzene | | 2- | hydroxy-p-xylene | | | phenol, 2,5-dimethyl- | | p- | xylenol |
Articles:
| US Patents:3,946,080 - Flavouring and perfuming ingredients |
| PubMed:Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation. |
| US Patents:3,952,024 - Furfurylthioacetone |
| PubMed:Prompt HO2 formation following the reaction of OH with aromatic compounds under atmospheric conditions. |
| PubMed:Agarose-gel-immobilized recombinant bacterial biosensors for simple and disposable on-site detection of phenolic compounds. |
| PubMed:Solid-phase extraction of antipyrine dye for spectrophotometric determination of phenolic compounds in water. |
| PubMed:Selective determination of 2,4-xylenol by gas chromatography/supersonic jet/resonance-enhanced multiphoton ionization/time-of-flight mass spectrometry. |
| PubMed:A simple HPLC-fluorescence method for quantitation of curcuminoids and its application to turmeric products. |
| PubMed:Tropospheric multiphase chemistry of 2,5- and 2,6-dimethylphenols: determination of the mass accommodation coefficients and the Henry's law constants. |
| PubMed:Molecular and biochemical characterization of the xlnD-encoded 3-hydroxybenzoate 6-hydroxylase involved in the degradation of 2,5-xylenol via the gentisate pathway in Pseudomonas alcaligenes NCIMB 9867. |
| PubMed:Molecular characterization of an inducible gentisate 1,2-dioxygenase gene, xlnE, from Pseudomonas alcaligenes NCIMB 9867. |
| PubMed:A new variant activator involved in the degradation of phenolic compounds from a strain of Pseudomonas putida. |
| PubMed:Toxicity and kinetic parameters of the aerobic biodegradation of the phenol and alkylphenols by a mixed culture. |
| PubMed:Glucuronidation of propofol and its analogs by human and rat liver microsomes. |
| PubMed:Determination of estrogenic activity in landfill leachate by simplified yeast two-hybrid assay. |
| PubMed:Microcosm studies of microbial degradation in a coal tar distillate plume. |
| PubMed:Organization and regulation of meta cleavage pathway genes for toluene and o-xylene derivative degradation in Pseudomonas stutzeri OX1. |
| PubMed:Threonine 201 in the diiron enzyme toluene 4-monooxygenase is not required for catalysis. |
| PubMed:Group II intron from Pseudomonas alcaligenes NCIB 9867 (P25X): entrapment in plasmid RP4 and sequence analysis. |
| PubMed:Transformations of Aromatic Compounds by Nitrosomonas europaea. |
| PubMed:A novel toluene-3-monooxygenase pathway cloned from Pseudomonas pickettii PKO1. |
| PubMed:Concentrations of phenol, o-cresol, and 2,5-xylenol in the urine of workers employed in the distillation of the phenolic fraction of tar. |
| PubMed:Effect of p-xylene metabolites, p-methylbenzyl alcohol and 2,5-dimethylphenol, on rat hepatic and pulmonary microsomal metabolism. |
| PubMed:Gas chromatographic determination of cresols in the biological fluids of a non-fatal case of cresol intoxication. |
| PubMed:Acute toxicity of cresols, xylenols, and trimethylphenols to Daphnia magna Straus 1820. |
| PubMed:Regulation of isofunctional enzymes in Pseudomonas alcaligenes mutants defective in the gentisate pathway. |
| PubMed:Separation and determination of phenol, alpha-naphthol m- and p-, o-cresols and 2,5-xylenol, and catechol in the urine after mixed exposure to phenol, naphthalene, cresols, and xylenols. |
| PubMed:A kinetic colorimetric assay of gamma-glutamyltransferase. |
| PubMed:Evidence for isofunctional enzymes used in m-cresol and 2,5-xylenol degradation via the gentisate pathway in Pseudomonas alcaligenes. |
| PubMed:Bacterial metabolism of para- and meta-xylene: oxidation of the aromatic ring. |
| PubMed:A novel mechanism for the NIH-shift. |
| PubMed:The enzymic degradation of alkyl-substituted gentisates, maleates and malates. |
| PubMed:Gentisic acid and its 3- and 4-methyl-substituted homologoues as intermediates in the bacterial degradation of m-cresol, 3,5-xylenol and 2,5-xylenol. |
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3D/inchi
