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Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Melting Point: | 63.00 to 66.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 220.00 to 222.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.071000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 198.00 °F. TCC ( 92.22 °C. )
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| logP (o/w): | 2.350 |
| Soluble in: |
| | alcohol | | | water, 3687 mg/L @ 25 °C (est) | | | water, 4880 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Flavor Type: balsamic |
| balsamic coffee |
| Taste Description: balsamic coffee |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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.
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| Hazards identification |
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| 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 608 mg/kg
(Maazik, 1968)
oral-rabbit LD50 1313 mg/kg
(Maazik, 1968)
oral-mouse LD50 477 mg/kg
(Maazik, 1968)
oral-rat LD50 2250 mg/kg
(Uzhdavini et al., 1979)
gavage-mouse LD50 [sex: M] 620 mg/kg
(McOmie et al., 1949)
intraperitoneal-mouse LD50 156 mg/kg
Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
oral-mouse LD50 477 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-rabbit LD50 1313 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 608 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.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
inhalation-rat LC > 4 mg/m3
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(10), Pg. 52, 1979.
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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): | 0.037 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 420 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 0.50000 | 2.50000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.50000 |
| Processed fruit (04.1): | 0.40000 | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 1.00000 | 5.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 |
| Bakery wares (07.0): | 2.00000 | 10.00000 |
| Meat and meat products, including poultry and game (08.0): | 0.20000 | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.20000 | 1.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.30000 | 1.50000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.50000 | 2.50000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 |
| Ready-to-eat savouries (15.0): | 2.00000 | 10.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.40000 | 2.00000 |
Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 3,5- | dimethyl phenol | | 3,5- | dimethyl-phenol | | 3,5- | dimethylphenol | | 3,5- | Dmp | | 1- | hydroxy-3,5-dimethyl benzene | | 5- | hydroxy-m-xylene | | | phenol, 3,5-dimethyl- |
Articles:
| US Patents:3,946,080 - Flavouring and perfuming ingredients |
| PubMed:Do assorted approaches aid in estimation of uronic acids? Case studies on Tinospora sinensis polysaccharides. |
| US Patents:3,952,024 - Furfurylthioacetone |
| PubMed:Cloud-point extraction and reversed-phase high performance liquid chromatography for analysis of phenolic compounds and their antioxidant activity in Thai local wines. |
| PubMed:Complex mechanism of relaxation in solid chloroxylenol (antibacterial/antifungal agent) studied by ¹H NMR spectroscopy and density functional theory calculations. |
| PubMed:Studies on Tinospora cordifolia monosugars and correlation analysis of uronic acids by spectrophotometric methods and GLC. |
| PubMed:NBO, NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of 4-Chloro-3,5-Xylenol: a combined experimental and theoretical study. |
| PubMed:Silent, generic and plant kairomone sensitive odorant receptors from the Southern house mosquito. |
| PubMed:Degradation of 4-Chloro-3,5-Dimethylphenol by a Heterogeneous Fenton-Like Reaction Using Nanoscale Zero-Valent Iron Catalysts. |
| PubMed:Photocatalytic degradation of chlorophenols in soil washing wastes containing Brij 35. Correlation between the degradation kinetics and the pollutants-micelle binding. |
| PubMed:4-Chloropropofol enhances chloride currents in human hyperekplexic and artificial mutated glycine receptors. |
| PubMed:A novel 2,3-xylenol-utilizing Pseudomonas isolate capable of degrading multiple phenolic compounds. |
| PubMed:Functionalization/passivation of porous graphitic carbon with di-tert-amylperoxide. |
| PubMed:Total synthesis of landomycin A, a potent antitumor angucycline antibiotic. |
| PubMed:Recognition properties of acyclic glycoluril oligomers. |
| PubMed:Indicator approach to develop a chemosensor for the colorimetric sensing of thiol-containing water and its application for the thiol detection in plasma. |
| PubMed:Lanthanide complexes for magnetic resonance and optical molecular imaging. |
| PubMed:Degradation of the biocide 4-chloro-3,5-dimethylphenol in aqueous medium with ozone in combination with ultraviolet irradiation: operating conditions influence and mechanism. |
| PubMed:Simple and sensitive determination of 2,4-xylenol in surface water samples from river and sea by gas chromatography-mass spectrometry. |
| PubMed:Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography. |
| PubMed:Versatile scorpionates and new developments in the denticity changes of NNCp hybrid scorpionate/cyclopentadienyl ligands in Sc and Y compounds: from kappa1-Neta5-Cp to kappa2-NNeta5-Cp. |
| PubMed:Mineralization of the biocide chloroxylenol by electrochemical advanced oxidation processes. |
| PubMed:Characterization of alkylphenol metabolites in fish bile by enzymatic treatment and HPLC-fluorescence analysis. |
| PubMed:Study of a monolithic silica capillary column coated with poly(octadecyl methacrylate) for the reversed-phase liquid chromatographic separation of some polar and non-polar compounds. |
| PubMed:Evaluation of estrogenic activity of organic biocides using ER-binding and YES assay. |
| PubMed:Behavior of oxidation in the radiochromic gel dosimeter through photoacoustic technique measurements. |
| PubMed:Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy. |
| PubMed:Expression profiling of estrogen-responsive genes in breast cancer cells treated with alkylphenols, chlorinated phenols, parabens, or bis- and benzoylphenols for evaluation of estrogenic activity. |
| 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:Structural features of phenol derivatives determining potency for activation of chloride currents via alpha(1) homomeric and alpha(1)beta heteromeric glycine receptors. |
| PubMed:Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene. |
| PubMed:Effect of platelet concentration in platelet-rich plasma on peri-implant bone regeneration. |
| PubMed:Investigation of antibiotic and antibacterial agent cross-resistance in target bacteria from homes of antibacterial product users and nonusers. |
| 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:[Identification of corrected retention indices of ten phenols in reversed-phase high performance liquid chromatography]. |
| PubMed:[Determination of 4-chloro-3,5-dimethyl phenol in antiseptics and synthetic products by scanning thin-layer chromatography]. |
| PubMed:Vibrational analysis of substituted phenols: part II. Transferability of valence force constants. |
| PubMed:A chlorine isotope effect for enzyme-catalyzed chlorination. |
| PubMed:Sonochemical degradation of aromatic organic pollutants. |
| PubMed:Effects of bisphenol A and its derivatives on the response of GABA(A) receptors expressed in Xenopus oocytes. |
| PubMed:Determination of phenolic disinfectant agents in commercial formulations by liquid chromatography. |
| PubMed:Oxidation of 2,6-dimethylaniline by recombinant human cytochrome P450s and human liver microsomes. |
| PubMed:Determination of phenols in soil by supercritical fluid extraction-capillary electrochromatography. |
| PubMed:Cytokine release and cytotoxicity in human keratinocytes and fibroblasts induced by phenols and sodium dodecyl sulfate. |
| PubMed:Re-evaluation of the ferrous oxidation in xylenol orange assay for the measurement of plasma lipid hydroperoxides. |
| PubMed:Optical CT reconstruction of 3D dose distributions using the ferrous-benzoic-xylenol (FBX) gel dosimeter. |
| PubMed:Heterotrophic growth on phenolic mixtures by Ochromonas danica. |
| PubMed:HPLC-fluorescence determination of chlorocresol and chloroxylenol in pharmaceuticals. |
| PubMed:Urinary excretion of phenols as an indicator of occupational exposure in the coke-plant industry. |
| PubMed:Effect of autoclaving on dietary fibre content of beet root (Beta vulgaris). Evaluation by different methods. |
| PubMed:Simultaneous determination of phenol, cresol, xylenol isomers and naphthols in urine by capillary gas chromatography. |
| PubMed:A New Class of Aluminum Cations Based upon Tetradentate (N(2)O(2)) Chelating Ligands. |
| PubMed:Formation of Dimethylmuconolactones from Dimethylphenols by Alcaligenes eutrophus JMP 134. |
| PubMed:Do different fluorochrome labels give equivalent histomorphometric information? |
| PubMed:Pyridine and other coal tar constituents as inhibitors of potato polyphenol oxidase: a non-animal model for neurochemical studies. |
| PubMed:[Identification of volatile phenols in drinking and raw water]. |
| PubMed:Gas chromatographic determination of cresols in the biological fluids of a non-fatal case of cresol intoxication. |
| PubMed:Bacterial metabolism of 2,6-xylenol. |
| PubMed:A novel stereospecific synthesis of 14C labeled 1-glutamic acid. |
| 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:Novel electrophoretic approach to study of poly(A)+RNA pool heterogeneity in different areas of human postmortem brain. |
| PubMed:Irritant dermatitis from tri-butyl tin oxide and contact allergy from chlorocresol. |
| PubMed:Simultaneous determination of phenol, cresols and xylenols in workplace air, using a polystyrene-divinylbenzene column and electrochemical detection. |
| PubMed:Use of L-leucyl-3-carboxy-4-hydroxyanilide as substrate for determining the activity of microsomal aminopeptidase in serum. |
| PubMed:Measurement of pectin methylation in plant cell walls. |
| PubMed:[Establishment of the maximum permissible concentration of 2,6-xylenol in the atmosphere]. |
| PubMed:[Experimental study on the problem of the composition of a xylenol fraction--a contribution to analysis of constituents of waste waters in the coal-processing industry]. |
| PubMed:The protective potentials of 4-chloro-3, 5-xylenol (Dettol) against Mansonian schistosomiasis. |
| PubMed:Evidence for isofunctional enzymes used in m-cresol and 2,5-xylenol degradation via the gentisate pathway in Pseudomonas alcaligenes. |
| PubMed:Regulation of enzymes of the 3,5-xylenol-degradative pathway in Pseudomonas putida: evidence for a plasmid. |
| PubMed:The aromatic alcohol dehydrogenases in Pseudomonas putida N.C.I.B. 9869 grown on 3,5-xylenol and p-cresol. |
| PubMed:P-cresol and 3,5-xylenol methylhydroxylases in Pseudomonas putida N.C.I.B. 9896. |
| PubMed:Simultaneous gas chromatographic analysis of lower fatty acids, phenols and indoles using a glass capillary column. |
| PubMed:Inhibition of prostaglandin synthesis in mouse 3T3 fibroblasts and human platelets by substituted phenols. |
| PubMed:Synthesis of sulfonates of 4-chloro-3,5-dimethylphenol and 5-chloro-7-iodo-8-quinolinol. |
| PubMed:Metal and metalloid indicator electrodes for the non-aqueous potentiometric titration of weak acids: comparative evaluation of group III, IV and V main-group elements. |
| PubMed:Pathways for the degradation of m-cresol and p-cresol by Pseudomonas putida. |
| 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. |
| PubMed:[Thin layer chromatographic separation of 1,3,4- and 1,3,5-dimethylphenol as reaction products with 1-phenyl-2,3-dimethyl-4-aminopyrazolone-(5) or as coupling products with Echtrot salt AL]. |
| PubMed:Metabolism of derivatives of toluene; the fate of the xylenols in the rabbit, with further observations on the metabolism of the xylenes. |
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3D/inchi