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General Material Information

Preferred name raspberry ketone methyl ether
Trivial Name 4-(4-Methoxyphenyl)-2-butanone
Short Description 4-(p-methoxyphenyl)-2-butanone
Formula C11 H14 O2
CAS Number 104-20-1
FEMA Number 2672
ECHA Number 203-184-2
FDA UNII GVG47S4S5V
Nikkaji Number J5.026A
Beilstein Number 1869592
MDL MFCD00008791
COE Number 163
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 818 4-(p-methoxyphenyl)-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 104-20-1 ; 4-(P-METHOXYPHENYL)-2-BUTANONE
Synonyms
  • anisyl acetone
  • nat. anisyl acetone
  • p- anisyl acetone
  • para- anisyl acetone
  • anisyl acetone (natural)
  • anisyl acetone FCC
  • anisyl acetone natural
  • anisyl acetone purified FCC
  • anisyl acetone synthetic
  • anisylacetone, p-
  • bramble ketone
  • butan-2-one, 4-(4-methoxyphenyl)-
  • 2-butanone, 4-(4-methoxyphenyl)-
  • 2-butanone, 4-(p-methoxyphenyl)-
  • frambinon methyl ether (Symrise)
  • frambinone methyl ether (Symrise)
  • methoxy phenyl butanone
  • p- methoxy phenyl butanone
  • p- methoxy phenyl butanone natural
  • 4-(4-methoxy-phenyl)-butan-2-one
  • 4-methoxybenzyl acetone
  • p- methoxybenzyl acetone
  • para- methoxybenzyl acetone
  • 4-methoxybenzylacetone
  • methoxybenzylacetone, p-
  • methoxyphenethyl methyl ketone
  • methoxyphenethylmethyl ketone
  • p- methoxyphenyl butanone
  • para- methoxyphenyl butanone
  • 4-(4-methoxyphenyl) butan-2-one
  • 4-(4-methoxyphenyl)-2-butanone
  • 4-(p- methoxyphenyl)-2-butanone
  • 4-(para- methoxyphenyl)-2-butanone
  • 1-(4-methoxyphenyl)-3-butanone
  • 1-(p- methoxyphenyl)-3-butanone
  • 1-(para- methoxyphenyl)-3-butanone
  • 4-(4-methoxyphenyl)butan-2-one
  • p- methoxyphenylbutanone
  • para- methoxyphenylbutanone
  • methyl oxanone
  • raspberry ketone methylether
  • 4-(4-methoxyphenyl)butan-2-one
  • 2-Butanone, 4-(4-methoxyphenyl)-
  • 2-Butanone, 4-(p-methoxyphenyl)-
  • 4-(4-Methoxyphenyl)-2-butanone
  • ENT 20279
  • 1-(p-Methoxyphenyl)-3-butanone
  • 4-(p-Methoxyphenyl)-2-butanone
  • p-Anisylacetone
  • 1-(4-Methoxyphenyl)-3-butanone
  • 4-Methoxybenzylacetone
  • NSC 405366
  • Anisylacetone
  • 4-[4-(Methyloxy)phenyl]-2-butanone
  • 4-(4′-Methoxyphenyl)-2-butanone
  • Frambinone methyl ether

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):HMDB33597
FooDB:FDB011682
Export Tariff Code:2914.50.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.662 to 8.737
Refractive Index 1.515 to 1.525 @ 20 °C
Boiling Point 152 to 153°C @ 15 mm Hg
Boiling Point 276 to 278°C @ 760 mm Hg
Vapor Pressure 0.004 mmHg @ 25 °C
Vapor Density 6.1
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.852 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
dipropylene glycol Yes
water, very slightly Yes
water, 1007 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Berry
sweet, dry, raspberry, rose, cherry, fruity, acacia, woody, powdery, honey, vanilla, violet
Odor strength medium
Substantivity 324 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. sweet dried raspberry rose cherry fruity cassie absolute
Mosciano, Gerard P&F 23, No. 2, 43, (1998) At 5.00 %. Sweet, fruity, woody, powdery, honey, vanilla, raspberry and ionone-like
Flavor Type: Berry
floral, woody, violet, raspberry, fruity, spicy, berry
Mosciano, Gerard P&F 23, No. 2, 43, (1998) At 40.00 ppm. Floral, woody, ionone, raspberry, fruity, spice and berry
Used in Vanilla, berry, licorice flavours; hard confection at up to 100ppm, soft confection at 30ppm, desserts at 25ppm, beverages and frozen dairy at 10ppm max. Anise
Useful in: vanilla, fruity red, fruity others, sweet others. Very sweet, raspberry, anisic, watery, slightly melon character
General comment Fruity, raspberry note

Occurrences

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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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
Pictogramexclamation-mark.jpg
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:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Russell, 1973f)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974.

Inhalation Toxicity:
Not determined

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 methyl ether usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 840.00 (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 ppmaverage maximum ppm
baked goods: -26.00000
beverages(nonalcoholic): -12.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 10.0000012.00000
fruit ices: 10.0000012.00000
gelatins / puddings: -25.00000
granulated sugar: --
gravies: --
hard candy: -28.00000
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 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):104-20-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61007
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(4-methoxyphenyl)butan-2-one
Chemidplus:0000104201
RTECS:EL9085500 for cas# 104-20-1