Articles:
| None found yet. |
Notes:
natural oakmoss accord - verymoss and olibanum resinoid.
mossy accord - isoeugenol, verymoss 10% and benzyl salicylate.
| Fragrance Demo Formulas | ||
| Name: | methyl 2,4-dihydroxy-3,6-dimethylbenzoate | |
| CAS Number: | 4707-47-5 |  3D/inchi
|
| Other: | 136218-95-6 | |
| ECHA EINECS - REACH Pre-Reg: | 225-193-0 | |
| FDA UNII: | 12YH9T04QE | |
| Nikkaji Web: | J38.919F | |
| MDL: | MFCD00157202 | |
| XlogP3-AA: | 2.30 (est) | |
| Molecular Weight: | 196.20244000 | |
| Formula: | C10 H12 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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 |
| Flavis Number: | 09.623 (Old) |
| DG SANTE Food Flavourings: | 09.623 methyl 2,4-dihydroxy-3,6-dimethylbenzoate |
Physical Properties:
| Appearance: | white to pinkish yellow crystalline powder (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 142.00 to 144.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000010 mmHg @ 25.00 °C. (est) |
| Flash Point: | 361.00 °F. TCC ( 182.78 °C. ) |
| logP (o/w): | 2.843 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| isopropyl myristate | |
| water, 310.6 mg/L @ 25 °C (est) | |
| Stability: | |
| soap | |
Organoleptic Properties:
| Odor Type: | mossy |
| Odor Strength: | high , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | mossy oakmoss woody phenolic earthy |
| Substantivity: | 280 hour(s) at 10.00 % in dipropylene glycol |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety 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. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 3900 mg/kg | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| Recommendation for verymoss usage levels up to: | |||
| 7.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (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): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (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 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 4707-47-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 78435 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| methyl 2,4-dihydroxy-3,6-dimethylbenzoate | |
| Chemidplus: | 0004707475 |
References:
| methyl 2,4-dihydroxy-3,6-dimethylbenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4707-47-5 |
| Pubchem (cid): | 78435 |
| Pubchem (sid): | 135036049 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (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): | Search |
| Export Tariff Code: | 2918.29.7500 |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| ataric acid | |
| atralone | |
| atraric acid | |
| benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester | |
| crystal moss | |
| 2,4- | dihydroxy-3,6-dimethyl-benzoic acid methyl ester |
| 2,4- | dihydroxy-3,6-dimethylbenzoic acid methyl ester |
| 3,6- | dimethyl-beta-resorcyclic acid methyl ester |
| 3,6- | dimethyl-beta-resorcylic acid methyl ester |
| evernilox | |
| evernyl (Givaudan) | |
| evernyl LRG 1201 (Givaudan) | |
| methyl 2,4-dihydroxy-3,6-dimethyl benzoate | |
| methyl 2,4-dihydroxy-3,6-dimethylbenzoate | |
| methyl 3,6-dimethyl resorcylate | |
| methyl 3,6-dimethylresorcylate | |
| methyl atrarate (evernyl) | |
| methyl atratate | |
| methyl beta-orcinol carboxylate | |
| methyl dihydroxydimethyl benzoate | |
| mousse cristal | |
| musgolide | |
| oakmoss #1 | |
| phenomoss (A.C.S. International) | |
| beta- | resorcyclic acid 3,6-dimethyl methyl ester |
| rionyl | |
| veramoss (IFF) | |
| verymoss |