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phenethyl acetate
General Material Information
| Preferred name | phenethyl acetate |
| Trivial Name | 2-Phenylethyl acetate |
| Short Description | acetic acid, 2-phenylethyl ester |
| Formula | C10 H12 O2 |
| CAS Number | 103-45-7 |
| FEMA Number | 2857 |
| Flavis Number | 9.031 |
| ECHA Number | 203-113-5 |
| FDA UNII | 67733846OW |
| Nikkaji Number | J4.021E |
| Beilstein Number | 0638179 |
| MDL | MFCD00008720 |
| COE Number | 221 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 989 phenethyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 103-45-7 ; PHENETHYL 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
| 2-phenylethyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-45-7 |
| Pubchem (cid): | 7654 |
| Pubchem (sid): | 134972075 |
| Flavornet: | 103-45-7 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C12303 |
| HMDB (The Human Metabolome Database): | HMDB33945 |
| FooDB: | FDB012153 |
| YMDB (Yeast Metabolome Database): | YMDB00574 |
| Export Tariff Code: | 2915.39.3500 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 164.20404052734 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.571 to 8.604 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.572 to 8.639 |
| Refractive Index | 1.496 to 1.502 @ 20 °C |
| Boiling Point | 238 to 239°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.056 mmHg @ 25 °C |
| Vapor Density | 5.67 |
| Flash Point TCC Value | 105 °C TCC |
| logP (o/w) | 2.3 |
| 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 | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| fixed oils | Yes |
| kerosene | Yes |
| propylene glycol | Yes |
| water, 710.8 mg/L @ 25 °C (est) | Yes |
| paraffin oil | No |
| water | No |
| glycerin | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hair spray | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, rose, sweet, honey, fruity, tropical, yeasty, cocoa, balsamic | |
| Odor strength | medium |
| Substantivity | 16 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 100.00 %. floral rose sweet honey fruity tropical |
| Mosciano, Gerard P&F 26, No. 1, 52, (2001) | At 100.00 %. Sweet, honey, floral rosy, with a slight yeasty honey note with a cocoa and balsamic nuance |
| Flavor Type: Honey | |
| sweet, honey, floral, rose, green, fruity | |
| Mosciano, Gerard P&F 26, No. 1, 52, (2001) | At 5.00 - 10.00 ppm. Sweet, honey, floral, rosy with a slight green nectar fruity body and mouth feel |
| General comment | Sweet, fruity |
| PHENYLETHYL ACETATE mantains the typical rose notes of Phenylethanol with a more intense honey profile which is perfect for fruit and alcoholic drink applications. | Floral notes recalling rose and canola flowers with a honey tonality and anisic twist |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apple green apple , Apricot , Banana , Blackberry , Blue grass , Bluebell , Butter , Carnation , Cherry black cherry , Citrus , Crabapple blossom , Date , Fig , Fir needle oil replacer , Floral , Freesia , Genet , Grape , Green , Honey , Honeysuckle , Hyacinth , Jasmin , Lily of the valley , Lime , Linden flower , Magnolia , Malt , Mango , Orange , Orris , Passion fruit , Peach , Peony , Pineapple , Plum , Raisin , Raspberry , Reseda , Rose , Rose leaf , Rose red rose , Rose white rose , Strawberry , Sweet pea , Vanilla , Violet |
| Flavoring purposes | Caramel , Chocolate cocoa , Pecan , Rose leaf , Yeast |
| Other purposes | My sin , Tabu , Turbulences |
| Cosmetic purposes | Fragrance |
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) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: non-sensitising. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1973e) oral-rat LD50 5200 mg/kg (Rumyantsev et al., 1987) gavage-guinea pig LD50 [sex: M,F] 3670 mg/kg (Zaitsev & Rakhmanina, 1974) gavage-mouse LD50 [sex: M,F] 3670 mg/kg (Zaitsev & Rakhmanina, 1974) gavage-rat LD50 [sex: M,F] 3670 mg/kg (Zaitsev & Rakhmanina, 1974) oral-guinea pig LD50 3670 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. oral-mouse LD50 3670 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. oral-rat LD50 3670 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 6210 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 957, 1974. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 500 mg/m3 BLOOD: NORMOCYTIC ANEMIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(10), Pg. 83, 1987. | |
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 phenethyl acetate usage levels up to: | |||
| 50.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 89.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 60.00 (μg/capita/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: | - | 5.60000 | |
| beverages(nonalcoholic): | - | 1.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.20000 | |
| fruit ices: | - | 2.20000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.20000 | |
| 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated 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 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):103-45-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7654 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2-phenylethyl acetate |
| Chemidplus:0000103457 |
| RTECS:AJ2220000 for cas# 103-45-7 |