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raspberry ketone acetate

Chemical Structure

General Material Information

Preferred name raspberry ketone acetate
Trivial Name 4-(p-Acetoxyphenyl)-2-butanone
Short Description 4-(p-acetoxyphenyl)-2-butanone
Formula C12 H14 O3
CAS Number 3572-06-3
FEMA Number 3652
Flavis Number 9.288
ECHA Number 222-682-0
FDA UNII 040RZ09S0V
Nikkaji Number J3.054F
Beilstein Number 1961620
MDL MFCD00008704
NMR Predictor External link
JECFA Food Flavoring 731 4-(p-acetoxyphenyl)-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3572-06-3 ; 4-(P-ACETOXYPHENYL)-2-BUTANONE
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
  • [4-(3-oxobutyl)phenyl] acetate
  • 2-Butanone, 4-[4-(acetyloxy)phenyl]-
  • 2-Butanone, 4-(p-hydroxyphenyl)-, acetate
  • 4-[4-(Acetyloxy)phenyl]-2-butanone
  • 4-(p-Hydroxyphenyl)-2-butanone, acetate
  • 4-(p-Acetoxyphenyl)-2-butanone
  • NSC 39438

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB33594
FooDB:FDB011678
Export Tariff Code:2916.39.7900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.24118041992
Specific gravity @ 25 °C
Pounds per Gallon 9.12 to 9.153
Refractive Index 1.506 to 1.512 @ 20 °C
Boiling Point 123 to 124°C @ 0.2 mm Hg
Vapor Pressure 3.8E-5 mmHg @ 25 °C
Flash Point TCC Value 133.89 °C TCC
logP (o/w) 1.323 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
alcohol Yes
water, 1888 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Berry
berry, jammy, raspberry, blueberry
Odor strength medium
Substantivity > 400 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. berry jam raspberry blueberry
Flavor Type: Berry
berry, jammy, fruity, raspberry, blackberry, blueberry, tropical
Luebke, William tgsc, (1995) Sweet berry jammy fruity raspberry blackberry blueberry tropical
Used in berry flavors for jam notes. Berry
Used in chewing gum at 10ppm, confectionery and desserts at 1ppm. Fruity
General comment BERRY, JAM, FRUITY, RASPBERRY

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 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)
Acute toxicity, Oral (Category 5), H303
Acute toxicity, dermal (Category 5), H313
Acute aquatic toxicity (Category 3), H402
GHS Label elements, including precautionary statements
Pictogram
Signal word Warning
Hazard statement(s)
H303 - May be harmfulif swallowed
H313 - May be harmful in contact with skin
H402 - Harmful to aquatic life
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 3038 mg/kg
Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975.

gavage-rat LD50 [sex: M,F] (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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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 ppmaverage 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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