Articles:
2-hydroxy-5-methylacetophenone
Notes:
Flavouring for coffee
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| CAS Number: | 1450-72-2 |  3D/inchi
|
| Other(deleted CASRN): | 1039415-68-3 | |
| ECHA EINECS - REACH Pre-Reg: | 215-915-2 | |
| FDA UNII: | 11661U1ZEN | |
| Nikkaji Web: | J128G | |
| Beilstein Number: | 1364840 | |
| MDL: | MFCD00002380 | |
| XlogP3: | 2.30 (est) | |
| Molecular Weight: | 150.17710000 | |
| Formula: | C9 H10 O2 | |
| 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 |
| JECFA Food Flavoring: | 2045 2-hydroxy-5-methylacetophenone |
| FEMA Number: | 4594 2-hydroxy-5-methylacetophenone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1450-72-2 ; 2-HYDROXY-5-METHYLACETOPHENONE |
Physical Properties:
| Appearance: | colorless to pale yellow crystalline solid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 50.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 210.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 120.00 to 125.00 °C. @ 20.00 mm Hg |
| Vapor Pressure: | 0.021000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w): | 1.941 (est) |
| Soluble in: | |
| alcohol | |
| water, 2038 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| sweet floral herbal | |
| Odor Description: at 1.00 % in dipropylene glycol. | sweet heavy floral herbal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| o-Acetyl-p-cresol |
| Carbosynth |
| For experimental / research use only. |
| 2-Hydroxy-5-methylacetophenone |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2'-Hydroxy-5'-methylacet |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2'-Hydroxy-5'-methylacetophenone 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 2'-Hydroxy-5'-methylacetophenone >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Structure Class: | I | ||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 0.50000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | 0.05000 | 0.30000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.05000 | 0.30000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | 0.10000 | 0.50000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.05000 | 0.30000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1450-72-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 15068 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-(2-hydroxy-5-methylphenyl)ethanone | |
| Chemidplus: | 0001450722 |
References:
| 1-(2-hydroxy-5-methylphenyl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15068 |
| Pubchem (sid): | 134980004 |
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 |
| HMDB (The Human Metabolome Database): | HMDB32592 |
| FooDB: | FDB010529 |
| Export Tariff Code: | 2914.50.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 2-Hydroxy-5-methylacetophenone |
Potential Blenders and core components note
Potential Uses:
| coffee | FR |
Occurrence (nature, food, other): note
| coffee bean Search Trop Picture | |
| walnut black walnut oil Search Trop Picture |
Synonyms:
| acetophenone, 2'-hydroxy-5'-methyl- | |
| 2- | acetyl-1-hydroxy-4-methylbenzene |
| 1- | acetyl-2-hydroxy-5-methylbenzene |
| 2- | acetyl-4-methyl phenol |
| 2- | acetyl-4-methylphenol |
| 2- | acetyl-p-cresol |
| o- | acetyl-p-cresol |
| ortho- | acetyl-p-cresol |
| 2- | acetyl-para-cresol |
| o- | acetyl-para-cresol |
| ethanone, 1-(2-hydroxy-5-methylphenyl)- | |
| ethanone,1-(2-hydroxy-5-methylphenyl)- | |
| 1- | hydroxy-2-acetyl-4-methyl benzene |
| 1- | hydroxy-2-acetyl-4-methylbenzene |
| 2- | hydroxy-5-methyl acetophenone |
| 2- | hydroxy-5-methyl-acetophenone |
| 2- | hydroxy-5-methylacetophenone |
| 1-(2- | hydroxy-5-methylphenyl) ethanone |
| 1-(2- | hydroxy-5-methylphenyl)-1-ethanone |
| 1-(2- | hydroxy-5-methylphenyl)ethan-1-one |
| 1-(2- | hydroxy-5-methylphenyl)ethanone |
| 2'- | hydroxy-5'-methyl acetophenone |
| 2'- | hydroxy-5'-methylacetophenone |