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chrysanthemum oxide
General Material Information
| Preferred name | chrysanthemum oxide |
| Trivial Name | (2-Methoxyethyl)benzene |
| Short Description | methyl phenethyl ether |
| Formula | C9 H12 O |
| CAS Number | 3558-60-9 |
| FEMA Number | 3198 |
| Flavis Number | 3.006 |
| ECHA Number | 222-619-7 |
| FDA UNII | 79089Z2R3S |
| Nikkaji Number | J75.050F |
| Beilstein Number | 1857538 |
| COE Number | 11812 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1254 methyl phenethyl ether |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3558-60-9 ; METHYL PHENETHYL ETHER |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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): | HMDB32621 |
| FooDB: | FDB010564 |
| Export Tariff Code: | 2909.30.6000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.19383239746 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.881 to 7.947 |
| Boiling Point | 185 to 187°C @ 760 mm Hg |
| Boiling Point | 100 to 104°C @ 25 mm Hg |
| Vapor Pressure | 1.788 mmHg @ 25 °C |
| Flash Point TCC Value | 65.56 °C TCC |
| logP (o/w) | 2.127 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, very slightly | Yes |
| water, 1008 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| antiperspirant | Good |
| fabric softener | Good |
| hypochlorite bleach | Good |
| liquid detergent | Good |
| perborate powder detergent | Good |
| soap | Good |
| toiletry application | Good |
Organoleptic Properties
| Odor Type: Green | |
| green, floral, chrysanthemum, jasmin, metallic, rose | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 88 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 10.00 % in dipropylene glycol. green floral chrysanthemum jasmin metallic rose |
| Flavor Type: Green | |
| green, chrysanthemum, herbal, floral, nasturtium, earthy, metallic, cilantro | |
| Luebke, William tgsc, (1987) | Green chrysanthemum herbal floral nasturtium earthy metallic cilantro |
Occurrences
| (data available) |
Potential Uses
Safety Information
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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M,F] (Shelanski & Moldovan, 1971c) oral-rat LD50 4100 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3970 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982. | |
| 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 chrysanthemum oxide usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 26.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 20.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (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 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf |
| Scientific Opinion on the safety and efficacy of aromatic ethers including anisole derivatives (chemical group 26) when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3558-60-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :19089 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-methoxyethylbenzene |
| Chemidplus:0003558609 |
| RTECS:KO2230000 for cas# 3558-60-9 |