| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 103-45-7 |
| ECHA EC Number: | 203-113-5 |
| FDA UNII: | 67733846OW |
| CoE Number: | 221 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | phenethyl acetate |
| InChI : | InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| Std.InChI: | InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey : | MDHYEMXUFSJLGV-UHFFFAOYAK |
| Std.InChIKey: | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
| SMILES : | CC(=O)OCCC1=CC=CC=C1 |
| MDL: | MFCD00008720 |
| Molar Refractivity : | 46.84 ± 0.3 cm3 (est) |
| Parachor : | 388.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.501 ± 0.02 (est) |
| Surface Tension : | 35.7 ± 3.0 dyne/cm (est) |
| Density : | 1.034 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.56 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 989 phenethyl acetate |
| DG SANTE Food Flavourings: | 09.031 phenethyl acetate |
| FEMA Number: | 2857 phenethyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 103-45-7 ; PHENETHYL ACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.03000 to 1.03400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.571 to 8.604 |
| Specific Gravity: | 1.02900 to 1.03700 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.572 to 8.639 |
| Refractive Index: | 1.49600 to 1.50200 @ 20.00 °C. |
| Melting Point: | -31.10 °C. @ 760.00 mm Hg |
| Boiling Point: | 238.00 to 239.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.056000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.67 ( Air = 1 ) |
| Flash Point: | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w): | 2.300 |
| 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 | |
| dipropylene glycol | |
| fixed oils | |
| kerosene | |
| propylene glycol | |
| water, 710.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| paraffin oil | |
| water | |
| glycerin | |
| Stability: | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hair spray | |
| hard surface cleaner | |
| liquid detergent | |
| non-discoloring in most media | |
| shampoo | |
| soap | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | fragrance |
| 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 ANEMIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(10), Pg. 83, 1987. | |
| 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: | - | - | |
| 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 |
| 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 |
| (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 |
| FR | apple |
| FR | apple green apple |
| FR | apricot |
| FR | banana |
| FR | blackberry |
| FR | blue grass |
| FR | bluebell |
| FR | butter |
| FL | caramel |
| FR | carnation |
| FR | cherry black cherry |
| FL | chocolate cocoa |
| FR | citrus |
| FR | crabapple blossom |
| FR | date |
| FR | fig |
| FR | fir needle oil replacer |
| FR | floral |
| FR | freesia |
| FR | genet |
| FR | grape |
| FR | green |
| FR | honey |
| FR | honeysuckle |
| FR | hyacinth |
| FR | jasmin |
| FR | lily of the valley |
| FR | lime |
| FR | linden flower |
| FR | magnolia |
| FR | malt |
| FR | mango |
| my sin | |
| FR | orange |
| FR | orris |
| FR | passion fruit |
| FR | peach |
| FL | pecan |
| FR | peony |
| FR | pineapple |
| FR | plum |
| FR | raisin |
| FR | raspberry |
| FR | reseda |
| FR | rose |
| FL/FR | rose leaf |
| FR | rose red rose |
| FR | rose white rose |
| FR | strawberry |
| FR | sweet pea |
| tabu | |
| turbulences | |
| FR | vanilla |
| FR | violet |
| FL | yeast |
| apple fruit Search Trop Picture | |
| apple plant Search Trop Picture | |
| arctic bramble fruit Search Trop Picture | |
| beer Search PMC Picture | |
| bilberry fruit juice Search Trop Picture | |
| brandy Search PMC Picture | |
| cananga oil china @ 0.63% Data GC Search Trop Picture | |
| cassia plant Search Trop Picture | |
| champaca absolute @ 2.00% Data GC Search Trop Picture | |
| champaca concrete @ 0.30% Data GC Search Trop Picture | |
| cinnamon ceylon cinnamon bark Search Trop Picture | |
| cinnamon ceylon cinnamon root bark Search Trop Picture | |
| clove bud Search Trop Picture | |
| clove fruit Search Trop Picture | |
| cocoa Search Trop Picture | |
| eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.80% Data GC Search Trop Picture | |
| geranium leaf oil india @ 0.06% Data GC Search Trop Picture | |
| geranium petiole oil india @ 0.09% Data GC Search Trop Picture | |
| geranium stem oil india @ 0.25% Data GC Search Trop Picture | |
| grape Search Trop Picture | |
| guava fruit Search Trop Picture | |
| hyacinthus orientalis absolute @ 1.62-2.48% Data GC Search Trop Picture | |
| jasmin sambac absolute egypt @ 2.35% Data GC Search Trop Picture | |
| lettuce Search Trop Picture | |
| melon Search PMC Picture | |
| narcissus absolute @ 0.92% Data GC Search Trop Picture | |
| neroli oil CO2 extract @ 0.18% Data GC Search Trop Picture | |
| olive Search Trop Picture | |
| osmanthus absolute @ trace% Data GC Search Trop Picture | |
| persimmon american persimmon fruit Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| plum fruit Search Trop Picture | |
| rose absolute morocco @ 0.30% Data GC Search Trop Picture | |
| rose red Search PMC Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tobacco burley Search Picture | |
| whiskey Search Picture | |
| wine Search Picture | |
| ylang ylang oil CO2 extract @ 0.16% Data GC Search Trop Picture | |
| ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.12% Data GC Search Trop Picture | |
| ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.04% Data GC Search Trop Picture | |
| ylang ylang oil III @ 0.02% Data GC Search Trop Picture |
| acetic acid 2-phenyl ethyl ester | |
| acetic acid 2-phenylethyl ester | |
| acetic acid phenethyl ester | |
| acetic acid, 2-phenylethyl ester | |
| acetic acid, phenethyl ester | |
| benzyl carbinyl acetate | |
| benzylcarbinyl acetate | |
| 2- | phenethyl acetate |
| beta- | phenethyl acetate |
| phenethyl acetate natural | |
| phenethyl alcohol acetate | |
| phenethyl alcohol, acetate | |
| phenethyl ethanoate | |
| phenyl ethyl acetate | |
| 2- | phenyl ethyl acetate |
| beta- | phenyl ethyl acetate |
| phenyl ethyl acetate FCC | |
| phenyl ethyl acetate natural | |
| phenyl ethyl alcohol acetate | |
| phenylethyl acetate | |
| 2- | phenylethyl acetate |
| phenylethyl acetate (2-phenylethyl acetate) | |
| phenylethyl acetate nat | |
| 2- | phenylethyl acetone |
