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styralyl butyrate
General Material Information
| Preferred name | styralyl butyrate |
| Trivial Name | α-Methylbenzyl butyrate |
| Short Description | alpha-phenethyl butyrate |
| Formula | C12 H16 O2 |
| CAS Number | 3460-44-4 |
| FEMA Number | 2686 |
| Flavis Number | 9.231 |
| ECHA Number | 222-409-5 |
| FDA UNII | NP1Z2SN9NP |
| Nikkaji Number | J155.064K |
| MDL | MFCD00209534 |
| COE Number | 2083 |
| xLogP3-AA | 2.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 803 alpha-methylbenzyl butyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3460-44-4 ; ALPHA-METHYLBENZYL BUTYRATE |
| 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): | HMDB37717 |
| FooDB: | FDB016846 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Inoue Perfumery |
| Penta International | Reincke & Fichtner |
| Sigma-Aldrich | Synerzine |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 192.25791931152 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.13 to 8.296 |
| Refractive Index | 1.484 to 1.49 @ 20 °C |
| Boiling Point | 83 to 84°C @ 3 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.024 mmHg @ 25 °C |
| Flash Point TCC Value | 109.44 °C TCC |
| logP (o/w) | 3.37 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 44.15 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, fruity, berry, juicy fruit, earthy, floral, jasmin, juicy, bubble gum, tropical, pulpy, fruit overripe fruit | |
| General comment | At 100.00 %. sweet fruity berry juicy earthy floral jasmin |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 5.00 %. Sweet, fruity, berry-like with a juicy fruit and bubble gum character and a tropical fruity pulpy and over ripe fruit nectar like nuance |
| Flavor Type: Fruity | |
| fruity, plum, tropical, juicy, tutti frutti, bubble gum | |
| Mosciano, Gerard P&F 26, No. 3, 80, (2001) | At 5.00 - 50.00 ppm. Heavy, fruity, plum-like with a rich tropical nectar nuance. It has juicy fruit and tutti frutti bubble gum-like nuances |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Blackberry , Blueberry , Bubble gum , Cherry , Fruit , Gardenia , Grape , Jasmin , Raspberry , Strawberry , Valerian |
| Flavoring purposes | Tropical , Valerian |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 - 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: | |
| Not determined | |
| 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 styralyl butyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.10 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 20.00000 | |
| beverages(nonalcoholic): | 4.00000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 4.00000 | 10.00000 | |
| fruit ices: | 4.00000 | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 20.00000 | |
| 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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :570574 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 1-phenylethyl butanoate |
| Chemidplus:0003460444 |