Articles:
| None found yet. Try the PubMed Search. |
1-acetyl-4-hydroxy-3-methoxybenzene
Notes:
obtained from the rhizomes of several species of apocynum; a selective inhibitor of nadph oxidase.
-
BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 498-02-2 Acetovanillone >98%
-
-
Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): ACETOVANILLONE
-
-
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): 01-06100 ACETOVANILLONE
-
-
Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W508454 Acetovanillone, ≥98%, FG SDS
-
-
Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W01171 Acetovanillone W0101 ACETOVANILLONE
-
-
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): H0261 4'-Hydroxy-3'-methoxyacetophenone >98.0%(GC)
-
| CAS Number: | 498-02-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 207-854-5 | |
| FDA UNII: | B6J7B9UDTR | |
| Nikkaji Web: | J13.670K | |
| Beilstein Number: | 0637373 | |
| MDL: | MFCD00008747 | |
| CoE Number: | 11035 | |
| XlogP3: | 0.50 (est) | |
| Molecular Weight: | 166.17630000 | |
| Formula: | C9 H10 O3 | |
| 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: | 07.142 acetovanillone |
Physical Properties:
| Appearance: | pale yellow to yellowish tan powder (est) |
| Assay: | 95.00 to 100.00 % |
| Water Content: | 0.50 max. |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 113.00 to 115.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 263.00 to 265.00 °C. @ 17.00 mm Hg |
| Boiling Point: | 297.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 1.389 (est) |
| Soluble in: | |
| alcohol | |
| water, 5000 mg/L @ 20 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: vanilla | |
| Odor Strength: | low |
| sweet vanilla | |
| Odor Description: at 100.00 %. | faint sweet vanillin |
| Flavor Type: vanilla | |
| vanilla | |
| Taste Description: | vanillin |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Acetovanillone >98% |
| Carbosynth |
| For experimental / research use only. |
| Apocynin |
| EMD Millipore |
| For experimental / research use only. |
| Apocynin |
| ExtraSynthese |
| For experimental / research use only. |
| Acetovanillon (HPLC) ≥95% |
| Frinton Laboratories |
| For experimental / research use only. |
| 4'-Hydroxy-3'-methoxyacetophenone |
| Lluch Essence |
| ACETOVANILLONE |
| Penta International |
| ACETOVANILLONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Apocynin |
| Sigma-Aldrich |
| Acetovanillone, ≥98%, FG
Odor: vanilla |
| Certified Food Grade Products |
| Synerzine |
| ACETOVANILLONE |
| Synerzine |
| Acetovanillone |
| TCI AMERICA |
| For experimental / research use only. |
| 4'-Hydroxy-3'-methoxyacetophenone >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 - Wear suitable protective clothing. | |
| 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-mouse LD50 9000 mg/kg Bromatologia i Chemia Toksykologiczna. Vol. 14, Pg. 301, 1981. intraperitoneal-mouse LD50 650 mg/kg BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964. | |
| 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 | |||
| Recommendation for acetovanillone usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.20 (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 |
| ClinicalTrials.gov: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 498-02-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 2214 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-(4-hydroxy-3-methoxyphenyl)ethanone | |
| Chemidplus: | 0000498022 |
| RTECS: | AM8800000 for cas# 498-02-2 |
References:
| 1-(4-hydroxy-3-methoxyphenyl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 498-02-2 |
| Pubchem (cid): | 2214 |
| Pubchem (sid): | 134977590 |
| Flavornet: | 498-02-2 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C11380 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB012055 |
| YMDB (Yeast Metabolome Database): | YMDB01631 |
| Export Tariff Code: | 2914.70.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| brandy apple brandy | FL | |
| bacon | FL | |
| beef | FL | |
| beef roasted beef | FL | |
| benzoin absolute replacer | FL/FR | |
| cappuccino | FL | |
| chicken | FL | |
| chicory root | FL | |
| coffee | FR | |
| cognac | FR | |
| fenugreek | FL/FR | |
| fish | FL | |
| floral | FR | |
| hawthorn | FR | |
| heliotrope | FR | |
| lamb | FL | |
| liver | FL | |
| marshmallow | FL | |
| meat | FL | |
| meat grilled meat | FL | |
| meat roasted meat | FL | |
| meat smoked meat | FL | |
| moss | FR | |
| peru balsam | FR | |
| pork | FL | |
| saki | FL | |
| salami | FL | |
| shellfish | FL | |
| sherry | FR | |
| tequila | FL | |
| turkey | FL | |
| vanilla | FR | |
| vermouth | FL | |
| whiskey | FL | |
| wine | FR | |
| wormwood oil replacer | FR |
Occurrence (nature, food, other): note
| asparagus - 0.08 mg/kg PbMd Search Trop Picture | |
| bacon cooked bacon Search PMC Picture | |
| beer - up to 0.03 mg/kg Search PMC Picture | |
| cloudberry fruit - 0.15 mg/kg Search Trop Picture | |
| coffee - up to 4 mg/kg Search PMC Picture | |
| corn Search Trop Picture | |
| fish lean fish - up to 0.6 mg/kg Search PMC Picture | |
| onion Search Trop Picture | |
| pork - 9.3 mg/kg Search PMC Picture | |
| sherry - 0.15 mg/kg Search PMC Picture | |
| wine red wine - up to 1227 mg/kg Search Picture | |
| wort - up to 0.09 mg/kg Search Picture |
Synonyms:
| acetoguaiacone | |
| acetovanillon | |
| 4- | acetyl-2-methoxyphenol |
| 1- | acetyl-4-hydroxy-3-methoxybenzene |
| apocynin | |
| apo | cynine |
| ethanone, 1-(4-hydroxy-3-methoxyphenyl)- | |
| 1-(4- | hydroxy-3-methoxy-phenyl)-ethanone |
| 4- | hydroxy-3-methoxyacetophenone |
| 4- | hydroxy-3-methoxyphenyl methyl ketone |
| 1-(4- | hydroxy-3-methoxyphenyl) ethanone |
| 1-(4- | hydroxy-3-methoxyphenyl)-ethanone |
| 1-(4- | hydroxy-3-methoxyphenyl)ethan-1-one |
| 1-(4- | hydroxy-3-methoxyphenyl)ethanon |
| 1-(4- | hydroxy-3-methoxyphenyl)ethanone |
| 4'- | hydroxy-3'-methoxyacetophenone |
| 3- | methoxy-4-hydroxyacetophenone |