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styralyl acetate
General Material Information
| Preferred name | styralyl acetate |
| Trivial Name | 1-Phenylethyl acetate |
| Short Description | gardenol |
| Formula | C10 H12 O2 |
| CAS Number | 93-92-5 |
| Deleted CAS Number | 1335-75-7 |
| FEMA Number | 2684 |
| ECHA Number | 202-288-5 |
| FDA UNII | FYS3E9NBA3 |
| Nikkaji Number | J155.063B |
| Beilstein Number | 1908635 |
| MDL | MFCD00008858 |
| COE Number | 573 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 801 alpha-methylbenzyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 93-92-5 ; ALPHA-METHYLBENZYL ACETATE |
| 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 |
Literature & References
| Leffingwell: | Chirality or Article |
| 1-phenylethyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 93-92-5 |
| Pubchem (cid): | 62341 |
| Pubchem (sid): | 135019877 |
| Pherobase: | View |
| Publications by Perfumer & Flavorist | |
| Organoleptic Characteristics of Flavor Materials | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32620 |
| FooDB: | FDB010563 |
| Export Tariff Code: | 2915.39.9050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 164.20404052734 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.487 to 8.612 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.522 to 8.589 |
| Refractive Index | 1.492 to 1.504 @ 20 °C |
| Boiling Point | 94 to 95°C @ 12 mm Hg |
| Boiling Point | 213 to 215°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.203 mmHg @ 25 °C |
| Flash Point TCC Value | 91.11 °C TCC |
| logP (o/w) | 2.351 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| kerosene | Yes |
| paraffin oil | Yes |
| water, 481.1 mg/L @ 25 °C (est) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| green, leafy, gardenia, rhubarb, musty, fruity, seedy, berry | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 8 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 10.00 % in dipropylene glycol. green leafy gardenia rhubarb musty |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | Green, fruity and musty with seedy, berry nuances |
| Flavor Type: Fruity | |
| fruity, berry, green, seedy, nutty | |
| Mosciano, Gerard P&F 22, No. 2, 69, (1997) | At 12.00 ppm. Fruity, berry, green, seedy and slightly nutty |
| General comment | Fruity, green, rhubarb |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Banana , Berry , Blue grass , Blue mist , Floral , Gardenia , Gooseberry , Grape , Green , Hazelnut , Heliotrope , Herbal , Hyacinth , Jasmin , Lilac , Lily of the valley , Mimosa , Pear , Peony , Plum , Raspberry , Strawberry , Sweet pea , Tea green tea , Tuberose , Valerian , Woodruff |
| Flavoring purposes | Tea , Valerian |
| Other purposes | Aimant , Bellodgia , Cabochard , Joy , Leaf |
| Cosmetic purposes | Fragrance , Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264 - Wash skin thouroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4600 mg/kg (Levenstein, 1974d) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 611, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 611, 1976. skin-rabbit LD50 2500 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 979, 1974. | |
| 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 | |||
| Recommendation for styralyl acetate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 170.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 650.00 (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: | - | 17.00000 | |
| beverages(nonalcoholic): | - | 3.90000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.80000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.40000 | |
| fruit ices: | - | 5.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.00000 | |
| 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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 |
| Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species 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 Substance Registry Services (TSCA):93-92-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62341 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 1-phenylethyl acetate |
| Chemidplus:0000093925 |
| RTECS:DO9410000 for cas# 93-92-5 |