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Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless solid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Melting Point: | 72.00 to 76.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 216.00 to 218.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.093000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.23 ( Air = 1 ) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w): | 2.480 |
| Soluble in: |
| | alcohol | | | water, 2855 mg/L @ 25 °C (est) | | | water, 4570 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: phenolic |
| phenolic chemical musty |
| Odor Description:at 10.00 % in dipropylene glycol. phenolic chemical musty |
| Flavor Type: phenolic |
| phenolic |
| Taste Description: cresolic |
| 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 |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00158
oral-rat LD50 < 5000 mg/kg
(De Cresente, 1982)
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
inhalation-rat LC > 85500 ug/m3/4
National Technical Information Service. Vol. AD-A180-198
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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 |
| Recommendation for 2,3-xylenol usage levels up to: | | | 0.0200 % in the fragrance concentrate.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.013 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 420 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
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| 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:
| 2,3- | dimethyl phenol | | 2,3- | dimethyl-phenol | | 2,3- | dimethylphenol | | 1- | hydroxy-2,3-dimethyl benzene | | 1- | hydroxy-2,3-dimethylbenzene | | 3- | hydroxyl-o-xylene | | | phenol, 2,3-dimethyl- |
Articles:
| US Patents:3,946,080 - Flavouring and perfuming ingredients |
| PubMed:Nanocage structure derived from sulfonated β-cyclodextrin intercalated layered double hydroxides and selective adsorption for phenol compounds. |
| US Patents:3,952,024 - Furfurylthioacetone |
| PubMed:Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation. |
| PubMed:Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism. |
| PubMed:A novel 2,3-xylenol-utilizing Pseudomonas isolate capable of degrading multiple phenolic compounds. |
| PubMed:Determination of phenolic compounds in wastewater by liquid-phase microextraction coupled with gas chromatography. |
| PubMed:Protein engineering of toluene-o-xylene monooxygenase from Pseudomonas stutzeri OX1 for enhanced chlorinated ethene degradation and o-xylene oxidation. |
| PubMed:Vibrational analysis of substituted phenols: part II. Transferability of valence force constants. |
| PubMed:Characterization of Rhodococcus opacus R7, a strain able to degrade naphthalene and o-xylene isolated from a polycyclic aromatic hydrocarbon-contaminated soil. |
| PubMed:Procedure for the quantification of rider peaks. |
| PubMed:Isolation and characterization of a thermotolerant bacterium Ralstonia sp. strain PHS1 that degrades benzene, toluene, ethylbenzene, and o-xylene. |
| PubMed:Determination of Henry's law constants of phenols by pervaporation-flow injection analysis. |
| PubMed:Evaluation of Smoky Taste in Cocoa Powder. |
| PubMed:Cloning of the genes for and characterization of the early stages of toluene and o-xylene catabolism in Pseudomonas stutzeri OX1. |
| PubMed:Isolation of a Pseudomonas stutzeri strain that degrades o-xylene. |
| PubMed:Alkylphenols in the defensive secretion of the nearctic opilionid,Stygnomma spinifera (Arachnida: Opiliones). |
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3D/inchi