Articles:
| None found yet. Try the PubMed Search. |
Notes:
Flavour ingredient
| Name: | [4-(3-oxobutyl)phenyl] acetate | |
| CAS Number: | 3572-06-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 222-682-0 | |
| FDA UNII: | 040RZ09S0V | |
| Nikkaji Web: | J3.054F | |
| Beilstein Number: | 1961620 | |
| MDL: | MFCD00008704 | |
| FEMA Number: | 3652 | |
| XlogP3: | 1.70 (est) | |
| Molecular Weight: | 206.24118000 | |
| Formula: | C12 H14 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | According to JECFA: Min. assay value is "93 (min. 95 % combined o- and p- isomers)" and "contains 2-5 % ortho isomer". | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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: | 731 4-(p-acetoxyphenyl)-2-butanone |
| Flavis Number: | 09.288 (Old) |
| DG SANTE Food Flavourings: | 09.288 4-(4-acetoxyphenyl)butan-2-one |
| FEMA Number: | 3652 4-(p-acetoxyphenyl)-2-butanone |
| FDA Mainterm: | 4-(P-ACETOXYPHENYL)-2-BUTANONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear oily liquid (est) |
| Assay: | 93.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.09600 to 1.10000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.120 to 9.153 |
| Refractive Index: | 1.50600 to 1.51200 @ 20.00 °C. |
| Boiling Point: | 123.00 to 124.00 °C. @ 0.20 mm Hg |
| Boiling Point: | 140.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.000038 mmHg @ 25.00 °C. (est) |
| Flash Point: | 273.00 °F. TCC ( 133.89 °C. ) |
| logP (o/w): | 1.323 (est) |
| 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 | |
| water, 1888 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: | berry |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | berry jam raspberry blueberry |
| Substantivity: | > 400 hour(s) at 100.00 % |
Cosmetic Information:
| None found |
Safety 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 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. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 3038 mg/kg Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. gavage-rat LD50 [sex: M,F] < 5000 mg/kg (Sauer & Salem, 1980) | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 2025 mg/kg Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 > 2800 mg/m3 Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for raspberry ketone acetate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | 1.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 2.00000 | |
| 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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (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 | |
| Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 3572-06-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 19137 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [4-(3-oxobutyl)phenyl] acetate | |
| Chemidplus: | 0003572063 |
| RTECS: | EL8950000 for cas# 3572-06-3 |
References:
| [4-(3-oxobutyl)phenyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3572-06-3 |
| Pubchem (cid): | 19137 |
| Pubchem (sid): | 134985166 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33594 |
| FooDB: | FDB011678 |
| Export Tariff Code: | 2916.39.7900 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetate of 4-(hydroxyphenyl)-2-butanone | |
| acetic acid 4-(3-oxo-butyl)-phenyl ester | |
| 4- | acetoxyphenyl butanone |
| 4- | acetoxyphenyl-2-butanone |
| 4 | acetoxyphenyl-2-butanone |
| 4-(4- | acetoxyphenyl)-2-butanone |
| 4-(p- | acetoxyphenyl)-2-butanone |
| 4-(para- | acetoxyphenyl)-2-butanone |
| 4-(p- | acetoxyphenyl)-2-butanone acetate |
| 4-(para- | acetoxyphenyl)-2-butanone acetate |
| 4-(p- | acetoxyphenyl)2-butanone |
| 4-(4- | acetoxyphenyl)butan-2-one |
| p-(2- | acetyl ethyl) phenyl acetate |
| para-(2- | acetyl ethyl) phenyl acetate |
| 4-(4- | acetyl oxyphenyl)-2-butanone |
| p-(2- | acetylethyl) phenylacetate |
| para-(2- | acetylethyl)phenyl acetate |
| 4-[4-( | acetyloxy)phenyl]-2-butanone |
| 4-(4- | acetyloxyphenyl)-2-butanone |
| 2- | butanone, 4- (p-hydroxyphenyl)-, acetate |
| 2- | butanone, 4-(P-hydroxyphenyl)-, acetate |
| oxo | butyl phenyl acetate |
| 4-(3-oxo | butyl)-phenyl acetate |
| 4-(3-oxo | butyl)phenyl acetate |
| p-(3-oxo | butyl)phenyl acetate |
| [4-(3-oxo | butyl)phenyl] acetate |
| 4-(3-oxo | butyl)phenylacetate |
| cue-lure | |
| cuelure | |
| p- | hydroxyphenyl butanone acetate |
| para- | hydroxyphenyl butanone acetate |
| 4-(p- | hydroxyphenyl)-2-butanone acetate |
| 4-(p- | hydroxyphenyl)-2-butanone, acetate |
| hydroxyphenylbutanone acetate, p- | |
| q-lure | |
| raspberry ketone acetate |