Articles:
phenol, 2,3-dimethyl-
Notes:
Constit. of Valerianella locusta (corn salad)
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 04-61970 2,3-DIMETHYLPHENOL
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): D0773 2,3-Dimethylphenol >98.0%(GC)
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| CAS Number: | 526-75-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-395-3 | |
| FDA UNII: | RLF9YS3586 | |
| Nikkaji Web: | J6.663J | |
| Beilstein Number: | 1906267 | |
| MDL: | MFCD00002227 | |
| CoE Number: | 11258 | |
| XlogP3: | 2.60 (est) | |
| Molecular Weight: | 122.16690000 | |
| Formula: | C8 H10 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 04.065 2,3-dimethylphenol |
Physical Properties:
| Appearance: | colorless solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 72.00 to 76.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 216.00 to 218.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.093000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.23 ( Air = 1 ) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| 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:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Kingchem Laboratories |
| 2,3 DIMETHYLPHENOL |
| Penta International |
| 2,3-DIMETHYLPHENOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,3-Dimethylphenol >98.0%(GC) |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,3-Dimethylphenol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,3-Dimethylphenol 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 2,3-Dimethylphenol >98.0%(GC) |
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: | |
|
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) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
|
inhalation-rat LC > 85500 ug/m3/4 National Technical Information Service. Vol. AD-A180-198 | |
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. | |||
| 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 | ||
| 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 (05.0): | - | - | |
| 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:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA GENetic TOXicology: | Search |
| EPA Substance Registry Services (TSCA): | 526-75-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10687 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2261 |
| WGK Germany: | 3 |
| 2,3-dimethylphenol | |
| Chemidplus: | 0000526750 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | ZE5500000 for cas# 526-75-0 |
References:
| 2,3-dimethylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 526-75-0 |
| Pubchem (cid): | 10687 |
| Pubchem (sid): | 134978402 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32148 |
| FooDB: | FDB008876 |
| Export Tariff Code: | 2907.19.8000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: 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 | ||
| fruity | ||
| fruity | ||
| 1-iso | propyl-2-methyl butyl 2-butenoate | |
| phenolic | ||
| 4- | vinyl phenol | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| 1-iso | propyl-2-methyl butyl 2-butenoate | |
| burnt | ||
| furfuryl alcohol | FL | |
| phenolic | ||
| 4- | vinyl phenol | FL/FR |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| beer - 2.1 mg/kg Search PMC Picture | |
| coffee Search PMC Picture | |
| lettuce lamb's lettuce Search Trop Picture |
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- |